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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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