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

Systemtic Name: 3-[(4-tert-butylphenyl)carbonyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[(4-tert-butylbenzoyl)-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]amino]propyl-diethylammonium IUPAC Name: 3-[(4-tert-butylbenzoyl)-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium Traditional Name: 3-[(4-tert-butylbenzoyl)-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]amino]propyl-diethyl-ammonium Formula: C29H40N3O3S+ MolecularWeight: 510.7112

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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=C(C=C3)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O3S/c1-8-31(9-2)17-10-18-32(27(33)21-11-13-22(14-12-21)29(3,4)5)28-30-25(20-36-28)24-19-23(34-6)15-16-26(24)35-7/h11-16,19-20H,8-10,17-18H2,1-7H3/p+1