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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(3,4-dimethoxybenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(3,4-dimethoxybenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl(veratroyl)amino]ethyl-diethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-5-24(6-2)13-14-25(22-23-17-9-7-8-10-20(17)29-22)21(26)16-11-12-18(27-3)19(15-16)28-4/h7-12,15H,5-6,13-14H2,1-4H3/p+1