3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-(3-nitrophenyl)carbonyl-amino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-(3-nitrophenyl)carbonyl-amino]propyl-diethyl-azanium Openeye Name: 3-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-(3-nitrobenzoyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-[(3-nitrophenyl)-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-(3-nitrobenzoyl)amino]propyl-diethylazanium Traditional Name: 3-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-(3-nitrobenzoyl)amino]propyl-diethyl-ammonium Formula: C25H31N4O5S+ MolecularWeight: 499.60244

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O5S/c1-5-27(6-2)13-8-14-28(24(30)18-9-7-10-19(15-18)29(31)32)25-26-22(17-35-25)21-16-20(33-3)11-12-23(21)34-4/h7,9-12,15-17H,5-6,8,13-14H2,1-4H3/p+1