3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzoyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[benzoyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzoyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzoyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-15-13-18-19(14-16(15)2)26-21(22-18)24(12-8-11-23(3)4)20(25)17-9-6-5-7-10-17/h5-7,9-10,13-14H,8,11-12H2,1-4H3/p+1