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

Systemtic Name: N-butyl-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O/c1-2-3-7-18-16(21)13-19-8-10-20(11-9-19)15-6-4-5-14(17)12-15/h4-6,12H,2-3,7-11,13H2,1H3,(H,18,21)/p+1