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

Systemtic Name: 3-[(4-butoxyphenyl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-butoxybenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-butoxyphenyl)-oxomethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-butoxybenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-butoxybenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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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(C=CC=C3S2)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OC

InChI

InChI=1S/C24H31N3O3S/c1-5-6-17-30-19-13-11-18(12-14-19)23(28)27(16-8-15-26(2)3)24-25-22-20(29-4)9-7-10-21(22)31-24/h7,9-14H,5-6,8,15-17H2,1-4H3/p+1