2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; 1-[1-(4-methoxyphenyl)ethyl]-4-pyridin-2-yl-piperazine; dihydrochloride

Systemtic Name: 2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; 1-[1-(4-methoxyphenyl)ethyl]-4-pyridin-2-yl-piperazine; dihydrochloride Openeye Name: 2,2-dimethyloxaziridin-2-ium-3-one; 1-[1-(4-methoxyphenyl)ethyl]-4-(2-pyridyl)piperazine; dihydrochloride CAS Name: 2,2-dimethyl-3-oxaziridin-2-iumone; 1-[1-(4-methoxyphenyl)ethyl]-4-(2-pyridinyl)piperazine; dihydrochloride IUPAC Name: 2,2-dimethyloxaziridin-2-ium-3-one; 1-[1-(4-methoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine; dihydrochloride Traditional Name: 2,2-dimethyloxaziridin-2-ium-3-one; 1-[1-(4-methoxyphenyl)ethyl]-4-(2-pyridyl)piperazine; dihydrochloride Formula: C21H31Cl2N4O3+ MolecularWeight: 458.40184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)N2CCN(CC2)C3=CC=CC=N3.C[N+]1(C(=O)O1)C.Cl.Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)N2CCN(CC2)C3=CC=CC=N3.C[N+]1(C(=O)O1)C.Cl.Cl

InChI

InChI=1S/C18H23N3O.C3H6NO2.2ClH/c1-15(16-6-8-17(22-2)9-7-16)20-11-13-21(14-12-20)18-5-3-4-10-19-18;1-4(2)3(5)6-4;;/h3-10,15H,11-14H2,1-2H3;1-2H3;2*1H/q;+1;;