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

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

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC)C

InChI

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