2-benzamido-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 2-benzamido-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-benzamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-benzamido-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-benzamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-benzamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c23-20(26)19-17-11-12-25(13-15-7-3-1-4-8-15)14-18(17)28-22(19)24-21(27)16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,23,26)(H,24,27)/p+1