2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)thiazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)thiazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CSC(=N1)C2=CC(=C(C=C2)OC)OC)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CSC(=N1)C2=CC(=C(C=C2)OC)OC)C(C)C

InChI

InChI=1S/C20H29N3O3S/c1-13(2)23(14(3)4)10-9-21-19(24)16-12-27-20(22-16)15-7-8-17(25-5)18(11-15)26-6/h7-8,11-14H,9-10H2,1-6H3,(H,21,24)/p+1