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

Systemtic Name: (1R,3R)-1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (1R,3R)-1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3R)-1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (1R,3R)-1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3R)-1-butyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2/c1-2-3-7-13-15-11(9-14(17-13)16(19)20)10-6-4-5-8-12(10)18-15/h4-6,8,13-14,17-18H,2-3,7,9H2,1H3,(H,19,20)/t13-,14-/m1/s1