[2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-keto-ethyl]-m-anisyl-methyl-ammonium Formula: C23H32N4O2S+2 MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C([NH2+]1)(C)C)SC(=C2C#N)NC(=O)C[NH+](C)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1(CC2=C(C([NH2+]1)(C)C)SC(=C2C#N)NC(=O)C[NH+](C)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C23H30N4O2S/c1-22(2)11-17-18(12-24)21(30-20(17)23(3,4)26-22)25-19(28)14-27(5)13-15-8-7-9-16(10-15)29-6/h7-10,26H,11,13-14H2,1-6H3,(H,25,28)/p+2