3-[1,3-benzothiazol-2-yl-(1-ethylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(1-ethylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(1-ethylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(1-ethyl-3-pyrazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(1-ethylpyrazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(1-ethylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)N(CCC[NH+](C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN1C=CC(=N1)C(=O)N(CCC[NH+](C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H23N5OS/c1-4-22-13-10-15(20-22)17(24)23(12-7-11-21(2)3)18-19-14-8-5-6-9-16(14)25-18/h5-6,8-10,13H,4,7,11-12H2,1-3H3/p+1