[2-[(3-ethoxycarbonyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-[(3-ethoxycarbonyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-[(3-ethoxycarbonyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-oxoethyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-[(3-carbethoxy-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-2-keto-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C23H41N4O3S+3 MolecularWeight: 453.66164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC([NH2+]C2(C)C)(C)C)NC(=O)C[NH+](C)C3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC([NH2+]C2(C)C)(C)C)NC(=O)C[NH+](C)C3CC[NH+](CC3)C

InChI

InChI=1S/C23H38N4O3S/c1-8-30-21(29)18-16-13-22(2,3)25-23(4,5)19(16)31-20(18)24-17(28)14-27(7)15-9-11-26(6)12-10-15/h15,25H,8-14H2,1-7H3,(H,24,28)/p+3