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

Systemtic Name: ethyl (1S,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: ethyl (1S,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1S,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1S,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid ethyl ester Formula: C20H19Cl2N2O2+ MolecularWeight: 390.28306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(C([NH2+]1)C3=C(C=C(C=C3)Cl)Cl)NC4=CC=CC=C24

Isomeric SMILES

CCOC(=O)[C@@H]1CC2=C([C@@H]([NH2+]1)C3=C(C=C(C=C3)Cl)Cl)NC4=CC=CC=C24

InChI

InChI=1S/C20H18Cl2N2O2/c1-2-26-20(25)17-10-14-12-5-3-4-6-16(12)23-19(14)18(24-17)13-8-7-11(21)9-15(13)22/h3-9,17-18,23-24H,2,10H2,1H3/p+1/t17-,18-/m0/s1