N-(3-methylphenyl)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: N-(3-methylphenyl)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-N-(m-tolyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: N-(3-methylphenyl)-2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: N-(3-methylphenyl)-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-N-(m-tolyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCN(CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCN(CC4)C

InChI

InChI=1S/C22H28N4O2S/c1-15-5-3-6-16(13-15)23-21(28)20-17-7-4-8-18(17)29-22(20)24-19(27)14-26-11-9-25(2)10-12-26/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,23,28)(H,24,27)/p+1