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

Systemtic Name: 6-(phenylmethyl)-2-(3-phenylprop-2-enoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-benzyl-2-(3-phenylprop-2-enoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[(1-oxo-3-phenylprop-2-enyl)amino]-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-benzyl-2-(3-phenylprop-2-enoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-benzyl-2-cinnamamido-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C(=C(S2)NC(=O)C=CC3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=C1C(=C(S2)NC(=O)C=CC3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2S/c25-23(29)22-19-13-14-27(15-18-9-5-2-6-10-18)16-20(19)30-24(22)26-21(28)12-11-17-7-3-1-4-8-17/h1-12H,13-16H2,(H2,25,29)(H,26,28)/p+1