2-[[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-oxo-ethyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thiophenyl]amino]-2-oxoethyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[2-[[3-carbethoxy-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-keto-ethyl]ammonio]ethyl-dimethyl-ammonium Formula: C16H28N4O4S+2 MolecularWeight: 372.48292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH2+]CC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH2+]CC[NH+](C)C

InChI

InChI=1S/C16H26N4O4S/c1-6-24-16(23)12-10(2)13(14(22)17-3)25-15(12)19-11(21)9-18-7-8-20(4)5/h18H,6-9H2,1-5H3,(H,17,22)(H,19,21)/p+2