3-[[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[2-[(3-carbethoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl]ammonio]propyl-dimethyl-ammonium Formula: C17H29N3O3S+2 MolecularWeight: 355.49546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[NH2+]CCC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C17H27N3O3S/c1-4-23-17(22)15-12-7-5-8-13(12)24-16(15)19-14(21)11-18-9-6-10-20(2)3/h18H,4-11H2,1-3H3,(H,19,21)/p+2