3-[(4-tert-butylphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-tert-butylphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-tert-butylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-tert-butylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-tert-butylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H29FN3OS+ MolecularWeight: 414.559263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C23H28FN3OS/c1-23(2,3)17-9-7-16(8-10-17)21(28)27(14-6-13-26(4)5)22-25-19-12-11-18(24)15-20(19)29-22/h7-12,15H,6,13-14H2,1-5H3/p+1