4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-[(1S)-2-methyl-1-phenyl-propyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-[(1S)-2-methyl-1-phenyl-propyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(4-methylanilino)-2-oxo-ethyl]-N-[(1S)-2-methyl-1-phenyl-propyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(4-methylanilino)-2-oxoethyl]-N-[(1S)-2-methyl-1-phenylpropyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(4-methylanilino)-2-oxoethyl]-N-[(1S)-2-methyl-1-phenylpropyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-keto-2-(p-toluidino)ethyl]-N-[(1S)-2-methyl-1-phenyl-propyl]piperazin-4-ium-1-carboxamide Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NC(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)N[C@H](C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C24H32N4O2/c1-18(2)23(20-7-5-4-6-8-20)26-24(30)28-15-13-27(14-16-28)17-22(29)25-21-11-9-19(3)10-12-21/h4-12,18,23H,13-17H2,1-3H3,(H,25,29)(H,26,30)/p+1/t23-/m0/s1