2-methyl-N-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide

Systemtic Name: 2-methyl-N-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide Openeye Name: 2-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide CAS Name: 2-methyl-N-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide IUPAC Name: 2-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide Traditional Name: 2-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H29N3O2S/c1-16-8-6-7-9-17(16)21(27)24-22-20(18-10-4-3-5-11-19(18)29-22)23(28)26-14-12-25(2)13-15-26/h6-9H,3-5,10-15H2,1-2H3,(H,24,27)/p+1