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

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

Isomeric SMILES

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

InChI

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