4-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-N-(p-tolyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(1R)-2-amino-2-keto-1-phenyl-ethyl]-N-(p-tolyl)piperazin-4-ium-1-carboxamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H24N4O2/c1-15-7-9-17(10-8-15)22-20(26)24-13-11-23(12-14-24)18(19(21)25)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H2,21,25)(H,22,26)/p+1/t18-/m1/s1