3-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(2-methylpropanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(2-methylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-methylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-methyl-1-oxopropyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-methylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-isobutyryl-amino]propyl-dimethyl-ammonium Formula: C17H25ClN3OS+ MolecularWeight: 354.9179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CCC[NH+](C)C)C(=O)C(C)C)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CCC[NH+](C)C)C(=O)C(C)C)Cl

InChI

InChI=1S/C17H24ClN3OS/c1-11(2)16(22)21(8-6-7-20(4)5)17-19-15-12(3)9-13(18)10-14(15)23-17/h9-11H,6-8H2,1-5H3/p+1