[(3S,3aR,8aR,9aR)-5,8a-dimethyl-2-oxidanylidene-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-3-yl]methyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [(3S,3aR,8aR,9aR)-5,8a-dimethyl-2-oxidanylidene-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-3-yl]methyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [(3S,3aR,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-3-yl]methyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [(3S,3aR,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-3-yl]methyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [(3S,3aR,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-3-yl]methyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(3S,3aR,8aR,9aR)-2-keto-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-3-yl]methyl-p-anisyl-ammonium Formula: C23H30NO3+ MolecularWeight: 368.4892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC2(C1=CC3C(C2)OC(=O)C3C[NH2+]CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH2+]CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H29NO3/c1-15-5-4-10-23(2)12-21-18(11-20(15)23)19(22(25)27-21)14-24-13-16-6-8-17(26-3)9-7-16/h5-9,11,18-19,21,24H,4,10,12-14H2,1-3H3/p+1/t18-,19-,21-,23-/m1/s1