[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C18H31N3O3S+2 MolecularWeight: 369.52204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+](C)C2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+](C)C2CC[NH+](CC2)C

InChI

InChI=1S/C18H29N3O3S/c1-6-24-18(23)16-12(2)13(3)25-17(16)19-15(22)11-21(5)14-7-9-20(4)10-8-14/h14H,6-11H2,1-5H3,(H,19,22)/p+2