azanium (1S,3S,4R)-4-[(4S,7aR)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-[(furan-2-ylmethylamino)methyl]-4-methyl-cyclohexan-1-ol ethanoate

Systemtic Name: azanium (1S,3S,4R)-4-[(4S,7aR)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-[(furan-2-ylmethylamino)methyl]-4-methyl-cyclohexan-1-ol ethanoate Openeye Name: ammonium (1S,3S,4R)-4-[(4S,7aR)-4-(hydroxymethyl)-7a-methyl-1-methylene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-[(2-furylmethylamino)methyl]-4-methyl-cyclohexanol acetate CAS Name: ammonium (1S,3S,4R)-4-[(4S,7aR)-4-(hydroxymethyl)-7a-methyl-1-methylene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-[(2-furanylmethylamino)methyl]-4-methyl-1-cyclohexanol acetate IUPAC Name: azanium (1S,3S,4R)-4-[(4S,7aR)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-[(furan-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol acetate Traditional Name: ammonium (1S,3S,4R)-4-[(4S,7aR)-7a-methyl-1-methylene-4-methylol-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-[(2-furfurylamino)methyl]-4-methyl-cyclohexanol acetate Formula: C27H46N2O5 MolecularWeight: 478.66454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC1(CCC(CC1CNCC2=CC=CO2)O)C3CCC4(C(C3CO)CCC4=C)C.[NH4+]

Isomeric SMILES

CC(=O)[O-].C[C@@]1(CC[C@@H](C[C@@H]1CNCC2=CC=CO2)O)C3CC[C@@]4(C([C@H]3CO)CCC4=C)C.[NH4+]

InChI

InChI=1S/C25H39NO3.C2H4O2.H3N/c1-17-6-7-22-21(16-27)23(9-11-24(17,22)2)25(3)10-8-19(28)13-18(25)14-26-15-20-5-4-12-29-20;1-2(3)4;/h4-5,12,18-19,21-23,26-28H,1,6-11,13-16H2,2-3H3;1H3,(H,3,4);1H3/t18-,19+,21-,22?,23?,24+,25+;;/m1../s1