1-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C17H17N4O2S+ MolecularWeight: 341.40748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N)C#N

InChI

InChI=1S/C17H16N4O2S/c18-8-13-12-5-1-2-6-14(12)24-17(13)20-15(22)10-21-7-3-4-11(9-21)16(19)23/h3-4,7,9H,1-2,5-6,10H2,(H2-,19,20,22,23)/p+1