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

Systemtic Name: 2-[[2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)-2-thienyl]amino]-2-oxo-ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)-2-thiophenyl]amino]-2-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)thiophen-2-yl]amino]-2-oxoethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[[3-carbethoxy-4-(4-phenylphenyl)-2-thienyl]amino]-2-keto-ethyl]amino]ethyl-dimethyl-ammonium Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CNCC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CNCC[NH+](C)C

InChI

InChI=1S/C25H29N3O3S/c1-4-31-25(30)23-21(17-32-24(23)27-22(29)16-26-14-15-28(2)3)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,17,26H,4,14-16H2,1-3H3,(H,27,29)/p+1