2-[(3,5-dimethoxyphenyl)carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3,5-dimethoxyphenyl)carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,5-dimethoxybenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,5-dimethoxybenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3,5-dimethoxybenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)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(=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

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