2-[5-(2-chlorophenyl)carbonyl-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide chloride

Systemtic Name: 2-[5-(2-chlorophenyl)carbonyl-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide chloride Openeye Name: 2-[5-(2-chlorobenzoyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide chloride CAS Name: 2-[5-[(2-chlorophenyl)-oxomethyl]-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide chloride IUPAC Name: 2-[5-(2-chlorobenzoyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide chloride Traditional Name: 2-[5-(2-chlorobenzoyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-2-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide chloride Formula: C29H28Cl2F3N3O2 MolecularWeight: 578.45273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3C2C[N+](CC3)(C)CC(=O)NC4=CC=CC(=C4)C(F)(F)F)C(=O)C5=CC=CC=C5Cl.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3C2C[N+](CC3)(C)CC(=O)NC4=CC=CC(=C4)C(F)(F)F)C(=O)C5=CC=CC=C5Cl.[Cl-]

InChI

InChI=1S/C29H27ClF3N3O2.ClH/c1-18-10-11-25-22(14-18)23-16-36(2,17-27(37)34-20-7-5-6-19(15-20)29(31,32)33)13-12-26(23)35(25)28(38)21-8-3-4-9-24(21)30;/h3-11,14-15,23,26H,12-13,16-17H2,1-2H3;1H