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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-4-27-18-12-10-17(11-13-18)16-21(26)25(15-7-14-24(2)3)22-23-19-8-5-6-9-20(19)28-22/h5-6,8-13H,4,7,14-16H2,1-3H3/p+1