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

Systemtic Name: ethyl (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: ethyl (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid ethyl ester Formula: C15H19N2O2+ MolecularWeight: 259.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(C([NH2+]1)C)NC3=CC=CC=C23

Isomeric SMILES

CCOC(=O)[C@@H]1CC2=C([C@@H]([NH2+]1)C)NC3=CC=CC=C23

InChI

InChI=1S/C15H18N2O2/c1-3-19-15(18)13-8-11-10-6-4-5-7-12(10)17-14(11)9(2)16-13/h4-7,9,13,16-17H,3,8H2,1-2H3/p+1/t9-,13-/m0/s1