methyl (1S,3S)-1-phenethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: methyl (1S,3S)-1-phenethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: methyl (1S,3S)-1-phenethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1S,3S)-1-phenethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S)-1-phenethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1S,3S)-1-phenethyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid methyl ester Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C([NH2+]1)CCC3=CC=CC=C3)NC4=CC=CC=C24

Isomeric SMILES

COC(=O)[C@@H]1CC2=C([C@@H]([NH2+]1)CCC3=CC=CC=C3)NC4=CC=CC=C24

InChI

InChI=1S/C21H22N2O2/c1-25-21(24)19-13-16-15-9-5-6-10-17(15)23-20(16)18(22-19)12-11-14-7-3-2-4-8-14/h2-10,18-19,22-23H,11-13H2,1H3/p+1/t18-,19-/m0/s1