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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3OS/c1-14-6-4-7-17-18(14)22-20(26-17)24(13-5-12-23(2)3)19(25)15-8-10-16(21)11-9-15/h4,6-11H,5,12-13H2,1-3H3/p+1