[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-(4-methylphenyl)methanone

Systemtic Name: [(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-(4-methylphenyl)methanone Openeye Name: [(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-(p-tolyl)methanone CAS Name: [(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-(4-methylphenyl)methanone IUPAC Name: [(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-(4-methylphenyl)methanone Traditional Name: [(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrid[4,3-b]indol-2-ium-5-yl]-(p-tolyl)methanone Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3CC[NH+](CC3C4=C2C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2[C@H]3CC[NH+](C[C@H]3C4=C2C=CC(=C4)C)C

InChI

InChI=1S/C21H24N2O/c1-14-4-7-16(8-5-14)21(24)23-19-9-6-15(2)12-17(19)18-13-22(3)11-10-20(18)23/h4-9,12,18,20H,10-11,13H2,1-3H3/p+1/t18-,20-/m0/s1