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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H29N3O2S/c1-16-8-10-17(11-9-16)21(27)24-22-20(18-6-4-3-5-7-19(18)29-22)23(28)26-14-12-25(2)13-15-26/h8-11H,3-7,12-15H2,1-2H3,(H,24,27)/p+1