3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiophene-2-carboxamide Formula: C26H30N3O3S2+ MolecularWeight: 496.6647

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C(C=CS3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C(C=CS3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H29N3O3S2/c30-26(27-17-21-8-2-4-9-22(21)18-28-13-5-6-14-28)25-24(12-16-33-25)34(31,32)29-15-11-20-7-1-3-10-23(20)19-29/h1-4,7-10,12,16H,5-6,11,13-15,17-19H2,(H,27,30)/p+1