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

Systemtic Name: N-butyl-2-[4-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(4-chloroanilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-(4-chloroanilino)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(4-chloroanilino)-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C18H28ClN4O2+ MolecularWeight: 367.89352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O2/c1-2-3-8-20-17(24)13-22-9-11-23(12-10-22)14-18(25)21-16-6-4-15(19)5-7-16/h4-7H,2-3,8-14H2,1H3,(H,20,24)(H,21,25)/p+1