azanium (4S,7aR)-5-[(1S,2R,4S)-2-[(E)-3-(dimethylamino)prop-1-enyl]-1-methyl-4-oxidanyl-cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol ethanoate

Systemtic Name: azanium (4S,7aR)-5-[(1S,2R,4S)-2-[(E)-3-(dimethylamino)prop-1-enyl]-1-methyl-4-oxidanyl-cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol ethanoate Openeye Name: ammonium (4S,7aR)-5-[(1S,2R,4S)-2-[(E)-3-(dimethylamino)prop-1-enyl]-4-hydroxy-1-methyl-cyclohexyl]-7a-methyl-1-methylene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol acetate CAS Name: ammonium (4S,7aR)-5-[(1S,2R,4S)-2-[(E)-3-(dimethylamino)prop-1-enyl]-4-hydroxy-1-methylcyclohexyl]-7a-methyl-1-methylene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol acetate IUPAC Name: azanium (4S,7aR)-5-[(1S,2R,4S)-2-[(E)-3-(dimethylamino)prop-1-enyl]-4-hydroxy-1-methylcyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol acetate Traditional Name: ammonium (4S,7aR)-5-[(1S,2R,4S)-2-[(E)-3-(dimethylamino)prop-1-enyl]-4-hydroxy-1-methyl-cyclohexyl]-7a-methyl-1-methylene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol acetate Formula: C25H46N2O4 MolecularWeight: 438.64374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC1(CCC(CC1C=CCN(C)C)O)C2CCC3(C(C2O)CCC3=C)C.[NH4+]

Isomeric SMILES

CC(=O)[O-].C[C@@]1(CC[C@@H](C[C@@H]1/C=C/CN(C)C)O)C2CC[C@@]3(C([C@H]2O)CCC3=C)C.[NH4+]

InChI

InChI=1S/C23H39NO2.C2H4O2.H3N/c1-16-8-9-19-21(26)20(11-13-22(16,19)2)23(3)12-10-18(25)15-17(23)7-6-14-24(4)5;1-2(3)4;/h6-7,17-21,25-26H,1,8-15H2,2-5H3;1H3,(H,3,4);1H3/b7-6+;;/t17-,18-,19?,20?,21+,22-,23-;;/m0../s1