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

Systemtic Name: (3S)-2,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (3S)-2,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (3S)-2,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (3S)-2,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (3S)-2,9-dimethyl-1,2,3,4-tetrahydro-$b-carbolin-2-ium-3-carboxylate Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2=C(CC1C(=O)[O-])C3=CC=CC=C3N2C

Isomeric SMILES

C[NH+]1CC2=C(C[C@H]1C(=O)[O-])C3=CC=CC=C3N2C

InChI

InChI=1S/C14H16N2O2/c1-15-8-13-10(7-12(15)14(17)18)9-5-3-4-6-11(9)16(13)2/h3-6,12H,7-8H2,1-2H3,(H,17,18)/t12-/m0/s1