2-[2-(4-ethoxyphenyl)ethanoyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-ethoxyphenyl)ethanoyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-ethoxyphenyl)acetyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-ethoxyphenyl)-1-oxoethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-ethoxyphenyl)acetyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[(6-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(S2)C=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)C

InChI

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