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

Systemtic Name: N-(3-chlorophenyl)-4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[2-oxo-2-(propylamino)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[2-keto-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Formula: C16H24ClN4O2+ MolecularWeight: 339.84036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O2/c1-2-6-18-15(22)12-20-7-9-21(10-8-20)16(23)19-14-5-3-4-13(17)11-14/h3-5,11H,2,6-10,12H2,1H3,(H,18,22)(H,19,23)/p+1