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

Systemtic Name: N-(3-methylphenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: N-(m-tolyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: N-(3-methylphenyl)-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: N-(3-methylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: N-(m-tolyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C22H27N3O2S/c1-15-7-5-8-16(13-15)23-21(27)20-17-9-6-10-18(17)28-22(20)24-19(26)14-25-11-3-2-4-12-25/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,23,27)(H,24,26)/p+1