2-methyl-3a-(phenylmethyl)-3,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium 5-oxide hydrochloride

Systemtic Name: 2-methyl-3a-(phenylmethyl)-3,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium 5-oxide hydrochloride Openeye Name: 3a-benzyl-2-methyl-3,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium 5-oxide hydrochloride CAS Name: 2-methyl-3a-(phenylmethyl)-3,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium 5-oxide hydrochloride IUPAC Name: 3a-benzyl-2-methyl-3,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium 5-oxide hydrochloride Traditional Name: 3a-benzyl-2-methyl-3,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium 5-oxide hydrochloride Formula: C14H19ClN3O+ MolecularWeight: 280.77316

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2(C[N+](=O)CCC2=N1)CC3=CC=CC=C3.Cl

Isomeric SMILES

CN1CC2(C[N+](=O)CCC2=N1)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C14H18N3O.ClH/c1-16-10-14(9-12-5-3-2-4-6-12)11-17(18)8-7-13(14)15-16;/h2-6H,7-11H2,1H3;1H/q+1;