N-(4,5-dimethyl-3-piperazin-4-ium-1-ylcarbonyl-thiophen-2-yl)benzamide

Systemtic Name: N-(4,5-dimethyl-3-piperazin-4-ium-1-ylcarbonyl-thiophen-2-yl)benzamide Openeye Name: N-[4,5-dimethyl-3-(piperazin-4-ium-1-carbonyl)-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[oxo(1-piperazin-4-iumyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-(piperazin-4-ium-1-carbonyl)thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-(piperazin-4-ium-1-carbonyl)-2-thienyl]benzamide Formula: C18H22N3O2S+ MolecularWeight: 344.45118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CC[NH2+]CC2)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CC[NH2+]CC2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H21N3O2S/c1-12-13(2)24-17(20-16(22)14-6-4-3-5-7-14)15(12)18(23)21-10-8-19-9-11-21/h3-7,19H,8-11H2,1-2H3,(H,20,22)/p+1