N-ethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-2-ium-2-amine hydrochloride

Systemtic Name: N-ethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-2-ium-2-amine hydrochloride Openeye Name: N-ethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-2-ium-2-amine hydrochloride CAS Name: N-ethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-2-ium-2-amine hydrochloride IUPAC Name: N-ethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-2-ium-2-amine hydrochloride Traditional Name: ethyl-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazolin-1-ium-1-yl]amine hydrochloride Formula: C12H20ClN4S+ MolecularWeight: 287.832

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+]1(CCC=N1)C2=NC3=C(S2)CCCC3.Cl

Isomeric SMILES

CCN[N+]1(CCC=N1)C2=NC3=C(S2)CCCC3.Cl

InChI

InChI=1S/C12H19N4S.ClH/c1-2-13-16(9-5-8-14-16)12-15-10-6-3-4-7-11(10)17-12;/h8,13H,2-7,9H2,1H3;1H/q+1;