methyl (1R,3R)-1-naphthalen-1-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: methyl (1R,3R)-1-naphthalen-1-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: methyl (1R,3R)-1-(1-naphthyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3R)-1-(1-naphthalenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3R)-1-naphthalen-1-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3R)-1-(1-naphthyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid methyl ester Formula: C23H21N2O2+ MolecularWeight: 357.42504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C([NH2+]1)C3=CC=CC4=CC=CC=C43)NC5=CC=CC=C25

Isomeric SMILES

COC(=O)[C@H]1CC2=C([C@H]([NH2+]1)C3=CC=CC4=CC=CC=C43)NC5=CC=CC=C25

InChI

InChI=1S/C23H20N2O2/c1-27-23(26)20-13-18-16-10-4-5-12-19(16)24-22(18)21(25-20)17-11-6-8-14-7-2-3-9-15(14)17/h2-12,20-21,24-25H,13H2,1H3/p+1/t20-,21-/m1/s1