(1S)-7-methoxy-1-methyl-6-oxidanyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-carboxylate

Systemtic Name: (1S)-7-methoxy-1-methyl-6-oxidanyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-carboxylate Openeye Name: (1S)-6-hydroxy-7-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-carboxylate CAS Name: (1S)-6-hydroxy-7-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-carboxylate IUPAC Name: (1S)-6-hydroxy-7-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-carboxylate Traditional Name: (1S)-6-hydroxy-7-methoxy-1-methyl-2,3,4,9-tetrahydro-$b-carbolin-2-ium-1-carboxylate Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CC[NH2+]1)C3=CC(=C(C=C3N2)OC)O)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-14(13(18)19)12-7(3-4-15-14)8-5-10(17)11(20-2)6-9(8)16-12/h5-6,15-17H,3-4H2,1-2H3,(H,18,19)/t14-/m0/s1