4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2/c25-19(21-15-17-7-3-1-4-8-17)16-23-11-13-24(14-12-23)20(26)22-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,25)(H,22,26)/p+1