3-[(4-dimethylaminophenyl)carbonyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-dimethylaminophenyl)carbonyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(dimethylamino)benzoyl]-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-dimethylaminophenyl)-oxomethyl]-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(dimethylamino)benzoyl]-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(dimethylamino)benzoyl]-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H28N4O2S/c1-24(2)13-6-14-26(21(27)16-7-9-17(10-8-16)25(3)4)22-23-19-15-18(28-5)11-12-20(19)29-22/h7-12,15H,6,13-14H2,1-5H3/p+1