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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CC2=C(C([NH2+]1)C)NC3=CC=CC=C23

Isomeric SMILES

CCCCOC(=O)[C@H]1CC2=C([C@H]([NH2+]1)C)NC3=CC=CC=C23

InChI

InChI=1S/C17H22N2O2/c1-3-4-9-21-17(20)15-10-13-12-7-5-6-8-14(12)19-16(13)11(2)18-15/h5-8,11,15,18-19H,3-4,9-10H2,1-2H3/p+1/t11-,15-/m1/s1