N-methyl-6-propyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: N-methyl-6-propyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: N-methyl-6-propyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: N-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: N-methyl-6-propyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: N-methyl-6-propyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C23H31N4O4S2+ MolecularWeight: 491.64664

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC[NH+]1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H30N4O4S2/c1-3-11-26-14-10-18-19(15-26)32-23(20(18)22(29)24-2)25-21(28)16-6-8-17(9-7-16)33(30,31)27-12-4-5-13-27/h6-9H,3-5,10-15H2,1-2H3,(H,24,29)(H,25,28)/p+1