(1S)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-carboxylate

Systemtic Name: (1S)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-carboxylate Openeye Name: (1S)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-carboxylate CAS Name: (1S)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-carboxylate IUPAC Name: (1S)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-carboxylate Traditional Name: (1S)-6-methyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-carboxylate Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2CC[NH2+][C@@H]3C(=O)[O-]

InChI

InChI=1S/C13H14N2O2/c1-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)/t12-/m0/s1