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

Systemtic Name: 1-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C18H18N4O2S/c1-11-4-5-13-14(8-19)18(25-15(13)7-11)21-16(23)10-22-6-2-3-12(9-22)17(20)24/h2-3,6,9,11H,4-5,7,10H2,1H3,(H2-,20,21,23,24)/p+1/t11-/m0/s1