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

Systemtic Name: N-(3,4-dichlorophenyl)-4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3,4-dichlorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3,4-dichlorophenyl)-4-[2-oxo-2-(propylamino)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3,4-dichlorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3,4-dichlorophenyl)-4-[2-keto-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Formula: C16H23Cl2N4O2+ MolecularWeight: 374.28542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22Cl2N4O2/c1-2-5-19-15(23)11-21-6-8-22(9-7-21)16(24)20-12-3-4-13(17)14(18)10-12/h3-4,10H,2,5-9,11H2,1H3,(H,19,23)(H,20,24)/p+1