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

Systemtic Name: 4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(cyclopropylamino)-2-oxo-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(cyclopropylamino)-2-keto-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Formula: C16H21Cl2N4O2+ MolecularWeight: 372.26954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H20Cl2N4O2/c17-13-4-3-12(9-14(13)18)20-16(24)22-7-5-21(6-8-22)10-15(23)19-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,19,23)(H,20,24)/p+1