N-butyl-2-chloranyl-4-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-butyl-2-chloranyl-4-piperazin-4-ium-1-yl-benzamide Openeye Name: N-butyl-2-chloro-4-piperazin-4-ium-1-yl-benzamide CAS Name: N-butyl-2-chloro-4-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-butyl-2-chloro-4-piperazin-4-ium-1-ylbenzamide Traditional Name: N-butyl-2-chloro-4-piperazin-4-ium-1-yl-benzamide Formula: C15H23ClN3O+ MolecularWeight: 296.81562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C=C(C=C1)N2CC[NH2+]CC2)Cl

Isomeric SMILES

CCCCNC(=O)C1=C(C=C(C=C1)N2CC[NH2+]CC2)Cl

InChI

InChI=1S/C15H22ClN3O/c1-2-3-6-18-15(20)13-5-4-12(11-14(13)16)19-9-7-17-8-10-19/h4-5,11,17H,2-3,6-10H2,1H3,(H,18,20)/p+1