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

Systemtic Name: 4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(isobutylamino)-2-oxo-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-methylpropylamino)-2-oxoethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-methylpropylamino)-2-oxoethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(isobutylamino)-2-keto-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H26N4O2/c1-14(2)12-18-16(22)13-20-8-10-21(11-9-20)17(23)19-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,18,22)(H,19,23)/p+1