N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3,4-dichlorophenyl)-4-[2-(isobutylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3,4-dichlorophenyl)-4-[2-(isobutylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C17H25Cl2N4O2+ MolecularWeight: 388.312

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H24Cl2N4O2/c1-12(2)10-20-16(24)11-22-5-7-23(8-6-22)17(25)21-13-3-4-14(18)15(19)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,25)/p+1