4-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-N-(m-tolyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-(3-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(1R)-2-amino-2-keto-1-phenyl-ethyl]-N-(m-tolyl)piperazin-4-ium-1-carboxamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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