(3S)-9-nonyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: (3S)-9-nonyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (3S)-9-nonyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (3S)-9-nonyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (3S)-9-nonyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (3S)-9-nonyl-1,2,3,4-tetrahydro-$b-carbolin-2-ium-3-carboxylate Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(CC([NH2+]C2)C(=O)[O-])C3=CC=CC=C31

Isomeric SMILES

CCCCCCCCCN1C2=C(C[C@H]([NH2+]C2)C(=O)[O-])C3=CC=CC=C31

InChI

InChI=1S/C21H30N2O2/c1-2-3-4-5-6-7-10-13-23-19-12-9-8-11-16(19)17-14-18(21(24)25)22-15-20(17)23/h8-9,11-12,18,22H,2-7,10,13-15H2,1H3,(H,24,25)/t18-/m0/s1