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

Systemtic Name: N-(4-chlorophenyl)-4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(allylamino)-2-oxo-ethyl]-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(allylamino)-2-keto-ethyl]-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide Formula: C16H22ClN4O2+ MolecularWeight: 337.82448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O2/c1-2-7-18-15(22)12-20-8-10-21(11-9-20)16(23)19-14-5-3-13(17)4-6-14/h2-6H,1,7-12H2,(H,18,22)(H,19,23)/p+1