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

Systemtic Name: methyl (1S,3S)-1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: methyl (1S,3S)-1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1S,3S)-1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S)-1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1S,3S)-1-butyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid methyl ester Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(CC([NH2+]1)C(=O)OC)C3=CC=CC=C3N2

Isomeric SMILES

CCCC[C@H]1C2=C(C[C@H]([NH2+]1)C(=O)OC)C3=CC=CC=C3N2

InChI

InChI=1S/C17H22N2O2/c1-3-4-8-14-16-12(10-15(18-14)17(20)21-2)11-7-5-6-9-13(11)19-16/h5-7,9,14-15,18-19H,3-4,8,10H2,1-2H3/p+1/t14-,15-/m0/s1