N-butyl-2-[4-[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-[2-(3-chlorophenyl)ethylamino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-[2-(3-chlorophenyl)ethylamino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H32ClN4O2+ MolecularWeight: 395.94668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H31ClN4O2/c1-2-3-8-22-19(26)15-24-10-12-25(13-11-24)16-20(27)23-9-7-17-5-4-6-18(21)14-17/h4-6,14H,2-3,7-13,15-16H2,1H3,(H,22,26)(H,23,27)/p+1