2-[2-(4-ethoxyphenyl)ethanoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-ethoxyphenyl)ethanoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-ethoxyphenyl)acetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-ethoxyphenyl)-1-oxoethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-ethoxyphenyl)acetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-p-phenetylacetyl)amino]ethyl]ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)C

InChI

InChI=1S/C22H27N3O2S/c1-5-27-18-11-9-17(10-12-18)15-20(26)25(14-13-24(3)4)22-23-21-16(2)7-6-8-19(21)28-22/h6-12H,5,13-15H2,1-4H3/p+1