2-[(3,4-dimethoxyphenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-veratroyl-amino]ethyl]ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

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