2-[(1S,4R)-4-(2-chlorophenyl)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-2-yl]-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-[(1S,4R)-4-(2-chlorophenyl)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-2-yl]-N-(2-cyanoethyl)ethanamide Openeye Name: 2-[(1S,4R)-4-(2-chlorophenyl)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-2-yl]-N-(2-cyanoethyl)acetamide CAS Name: 2-[(1S,4R)-4-(2-chlorophenyl)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-2-yl]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[(1S,4R)-4-(2-chlorophenyl)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-2-yl]-N-(2-cyanoethyl)acetamide Traditional Name: 2-[(1S,4R)-4-(2-chlorophenyl)-1-methyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-2-yl]-N-(2-cyanoethyl)acetamide Formula: C23H24ClN4O+ MolecularWeight: 407.91586

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(C[NH+]1CC(=O)NCCC#N)C3=CC=CC=C3Cl)C4=CC=CC=C4N2

Isomeric SMILES

C[C@H]1C2=C([C@@H](C[NH+]1CC(=O)NCCC#N)C3=CC=CC=C3Cl)C4=CC=CC=C4N2

InChI

InChI=1S/C23H23ClN4O/c1-15-23-22(17-8-3-5-10-20(17)27-23)18(16-7-2-4-9-19(16)24)13-28(15)14-21(29)26-12-6-11-25/h2-5,7-10,15,18,27H,6,12-14H2,1H3,(H,26,29)/p+1/t15-,18-/m0/s1