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

Systemtic Name: N-(4-chlorophenyl)-4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[2-(isobutylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-[2-(isobutylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C17H26ClN4O2+ MolecularWeight: 353.86694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4O2/c1-13(2)11-19-16(23)12-21-7-9-22(10-8-21)17(24)20-15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,23)(H,20,24)/p+1