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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2/c1-2-3-4-5-10-15-17-16(13(11-19-15)18(21)22)12-8-6-7-9-14(12)20-17/h6-9,13,15,19-20H,2-5,10-11H2,1H3,(H,21,22)/t13-,15-/m0/s1