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

Systemtic Name: (1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=C(CC([NH2+]1)C(=O)[O-])C3=CC=CC=C3N2

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2/c1-2-3-4-5-10-15-17-13(11-16(19-15)18(21)22)12-8-6-7-9-14(12)20-17/h6-9,15-16,19-20H,2-5,10-11H2,1H3,(H,21,22)/t15-,16-/m1/s1