2-[(3,5-dimethoxyphenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(3,5-dimethoxyphenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(3,5-dimethoxybenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(3,5-dimethoxybenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(3,5-dimethoxybenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H29N3O3S/c1-6-25(7-2)11-12-26(23-24-21-16(3)9-8-10-20(21)30-23)22(27)17-13-18(28-4)15-19(14-17)29-5/h8-10,13-15H,6-7,11-12H2,1-5H3/p+1