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

Systemtic Name: 2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-pentanoyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-pentanoyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(1-oxopentyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-pentanoylamino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-valeryl-amino]ethyl-dimethyl-ammonium Formula: C17H25ClN3OS+ MolecularWeight: 354.9179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC[NH+](C)C)C1=NC2=C(S1)C=C(C=C2C)Cl

Isomeric SMILES

CCCCC(=O)N(CC[NH+](C)C)C1=NC2=C(S1)C=C(C=C2C)Cl

InChI

InChI=1S/C17H24ClN3OS/c1-5-6-7-15(22)21(9-8-20(3)4)17-19-16-12(2)10-13(18)11-14(16)23-17/h10-11H,5-9H2,1-4H3/p+1