methyl 6-(1H-indol-2-ylmethyl)-2-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: methyl 6-(1H-indol-2-ylmethyl)-2-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 6-(1H-indol-2-ylmethyl)-2-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-(1H-indol-2-ylmethyl)-2-(1-pyrrolidinylsulfonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(1H-indol-2-ylmethyl)-2-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-(1H-indol-2-ylmethyl)-2-pyrrolidinosulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C22H26N3O4S2+ MolecularWeight: 460.58954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CC[NH+](C2)CC3=CC4=CC=CC=C4N3)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CC[NH+](C2)CC3=CC4=CC=CC=C4N3)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C22H25N3O4S2/c1-29-21(26)20-17-8-11-24(13-16-12-15-6-2-3-7-18(15)23-16)14-19(17)30-22(20)31(27,28)25-9-4-5-10-25/h2-3,6-7,12,23H,4-5,8-11,13-14H2,1H3/p+1