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

Systemtic Name: 2-acetamido-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-acetamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-acetamido-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-acetamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-acetamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)C[NH+](CC2)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)C[NH+](CC2)CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C17H19N3O2S/c1-11(21)19-17-15(16(18)22)13-7-8-20(10-14(13)23-17)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,18,22)(H,19,21)/p+1