methyl 4-pyridin-1-ium-2-ylpiperazine-1-carboxylate

Systemtic Name: methyl 4-pyridin-1-ium-2-ylpiperazine-1-carboxylate Openeye Name: methyl 4-pyridin-1-ium-2-ylpiperazine-1-carboxylate CAS Name: 4-(2-pyridin-1-iumyl)-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-pyridin-1-ium-2-ylpiperazine-1-carboxylate Traditional Name: 4-pyridin-1-ium-2-ylpiperazine-1-carboxylic acid methyl ester Formula: C11H16N3O2+ MolecularWeight: 222.26364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C11H15N3O2/c1-16-11(15)14-8-6-13(7-9-14)10-4-2-3-5-12-10/h2-5H,6-9H2,1H3/p+1