1-[[(2S)-oxiran-2-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[[(2S)-oxiran-2-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[[(2S)-oxiran-2-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[[(2S)-2-oxiranyl]methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[[(2S)-oxiran-2-yl]methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[[(2S)-oxiran-2-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2CO2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C[C@H]2CO2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C12H17N3O/c1-2-4-13-12(3-1)15-7-5-14(6-8-15)9-11-10-16-11/h1-4,11H,5-10H2/p+1/t11-/m0/s1