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

Systemtic Name: 3-[(4-butoxyphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-butoxybenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-butoxyphenyl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-butoxybenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-butoxybenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H29FN3O2S+ MolecularWeight: 430.558663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C23H28FN3O2S/c1-4-5-15-29-19-10-7-17(8-11-19)22(28)27(14-6-13-26(2)3)23-25-20-12-9-18(24)16-21(20)30-23/h7-12,16H,4-6,13-15H2,1-3H3/p+1