3-[(4-fluorophenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-fluorophenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-fluorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-fluorophenyl)-oxomethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-fluorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C20H23FN3OS+ MolecularWeight: 372.479523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3OS/c1-14-5-10-17-18(13-14)26-20(22-17)24(12-4-11-23(2)3)19(25)15-6-8-16(21)9-7-15/h5-10,13H,4,11-12H2,1-3H3/p+1