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

Systemtic Name: methyl 1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate chloride Openeye Name: methyl 1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate chloride CAS Name: 1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester chloride IUPAC Name: methyl 1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate chloride Traditional Name: 1-butyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid methyl ester chloride Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2.ClH/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;1H