2-[(2-methylphenyl)carbonylamino]-N-(2-morpholin-4-ium-4-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(2-methylphenyl)carbonylamino]-N-(2-morpholin-4-ium-4-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[(2-methylbenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]-N-[2-(4-morpholin-4-iumyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[(2-methylbenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-2-(o-toluoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C22H27N3O3S/c1-15-5-2-3-6-16(15)20(26)24-22-19(17-7-4-8-18(17)29-22)21(27)23-9-10-25-11-13-28-14-12-25/h2-3,5-6H,4,7-14H2,1H3,(H,23,27)(H,24,26)/p+1