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

Systemtic Name: 2-[2-(4-ethoxyphenyl)ethanoyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-ethoxyphenyl)acetyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-ethoxyphenyl)-1-oxoethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-ethoxyphenyl)acetyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-p-phenetylacetyl)amino]ethyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-5-28-17-11-9-16(10-12-17)15-20(26)25(14-13-24(2)3)22-23-21-18(27-4)7-6-8-19(21)29-22/h6-12H,5,13-15H2,1-4H3/p+1