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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2/c1-14(2)12-9(7-11(16-14)13(17)18)8-5-3-4-6-10(8)15-12/h3-6,11,15-16H,7H2,1-2H3,(H,17,18)/t11-/m1/s1