3-[[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]ammonio]propyl-dimethyl-ammonium Formula: C20H29N3O3S+2 MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH2+]CCC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C20H27N3O3S/c1-4-26-20(25)18-16(15-9-6-5-7-10-15)14-27-19(18)22-17(24)13-21-11-8-12-23(2)3/h5-7,9-10,14,21H,4,8,11-13H2,1-3H3,(H,22,24)/p+2