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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-veratroyl-amino]ethyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

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