[2-(dimethylamino)-2-oxidanylidene-ethyl]-[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl]-[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(dimethylamino)-2-oxo-ethyl]-[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(dimethylamino)-2-oxoethyl]-[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: [2-(dimethylamino)-2-oxoethyl]-[2-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-[2-(dimethylamino)-2-keto-ethyl]-methyl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-6-28-21(27)19-18(15-10-8-7-9-11-15)14(2)29-20(19)22-16(25)12-24(5)13-17(26)23(3)4/h7-11H,6,12-13H2,1-5H3,(H,22,25)/p+1