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

Systemtic Name: 3-[[4-(diethylamino)phenyl]carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(diethylamino)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(diethylamino)phenyl]-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(diethylamino)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(diethylamino)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C24H33N4OS+ MolecularWeight: 425.61002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4OS/c1-6-27(7-2)20-14-12-19(13-15-20)23(29)28(17-9-16-26(4)5)24-25-22-18(3)10-8-11-21(22)30-24/h8,10-15H,6-7,9,16-17H2,1-5H3/p+1