N-butyl-N,4-dimethyl-3-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-butyl-N,4-dimethyl-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N-butyl-N,4-dimethyl-3-piperazin-4-ium-1-yl-benzamide CAS Name: N-butyl-N,4-dimethyl-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-butyl-N,4-dimethyl-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N-butyl-N,4-dimethyl-3-piperazin-4-ium-1-yl-benzamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-4-5-10-19(3)17(21)15-7-6-14(2)16(13-15)20-11-8-18-9-12-20/h6-7,13,18H,4-5,8-12H2,1-3H3/p+1