3-[ethanoyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[ethanoyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[acetyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[acetyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[acetyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[acetyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-11(19)18(10-6-9-17(2)3)15-16-14-12(20-4)7-5-8-13(14)21-15/h5,7-8H,6,9-10H2,1-4H3/p+1