2-[butanoyl-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[butanoyl-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[butanoyl-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(1-oxobutyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[butanoyl-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[butyryl-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C16H23ClN3O2S+ MolecularWeight: 356.89072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC[NH+](C)C)C1=NC2=C(C=CC(=C2S1)Cl)OC

Isomeric SMILES

CCCC(=O)N(CC[NH+](C)C)C1=NC2=C(C=CC(=C2S1)Cl)OC

InChI

InChI=1S/C16H22ClN3O2S/c1-5-6-13(21)20(10-9-19(2)3)16-18-14-12(22-4)8-7-11(17)15(14)23-16/h7-8H,5-6,9-10H2,1-4H3/p+1