4-[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[(1R)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c1-20-13-14-21(2)24(19-20)29-26(32)25(22-9-5-3-6-10-22)30-15-17-31(18-16-30)27(33)28-23-11-7-4-8-12-23/h3-14,19,25H,15-18H2,1-2H3,(H,28,33)(H,29,32)/p+1/t25-/m1/s1