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

Systemtic Name: N-butyl-2-chloranyl-N-methyl-4-piperazin-4-ium-1-yl-benzamide Openeye Name: N-butyl-2-chloro-N-methyl-4-piperazin-4-ium-1-yl-benzamide CAS Name: N-butyl-2-chloro-N-methyl-4-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-butyl-2-chloro-N-methyl-4-piperazin-4-ium-1-ylbenzamide Traditional Name: N-butyl-2-chloro-N-methyl-4-piperazin-4-ium-1-yl-benzamide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O/c1-3-4-9-19(2)16(21)14-6-5-13(12-15(14)17)20-10-7-18-8-11-20/h5-6,12,18H,3-4,7-11H2,1-2H3/p+1