N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pentanamide

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pentanamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pentanamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]pentanamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pentanamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]valeramide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)N2CC[NH+](CC2)C)Cl

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)N2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C16H24ClN3O/c1-3-4-5-16(21)18-13-6-7-15(14(17)12-13)20-10-8-19(2)9-11-20/h6-7,12H,3-5,8-11H2,1-2H3,(H,18,21)/p+1