N-butyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-butyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N-butyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide CAS Name: N-butyl-2-methyl-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-butyl-2-methyl-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N-butyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide Formula: C16H26N3O+ MolecularWeight: 276.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-3-4-8-18-16(20)14-6-5-7-15(13(14)2)19-11-9-17-10-12-19/h5-7,17H,3-4,8-12H2,1-2H3,(H,18,20)/p+1