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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC

InChI

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