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

Systemtic Name: N-(4-methylphenyl)-2-(2-piperazin-4-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[(2-piperazin-4-ium-1-ylacetyl)amino]-N-(p-tolyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: N-(4-methylphenyl)-2-[[1-oxo-2-(1-piperazin-4-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: N-(4-methylphenyl)-2-[(2-piperazin-4-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[(2-piperazin-4-ium-1-ylacetyl)amino]-N-(p-tolyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CN4CC[NH2+]CC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CN4CC[NH2+]CC4

InChI

InChI=1S/C21H26N4O2S/c1-14-5-7-15(8-6-14)23-20(27)19-16-3-2-4-17(16)28-21(19)24-18(26)13-25-11-9-22-10-12-25/h5-8,22H,2-4,9-13H2,1H3,(H,23,27)(H,24,26)/p+1