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

Systemtic Name: ethyl 4-pyridin-1-ium-2-ylpiperazine-1-carboxylate Openeye Name: ethyl 4-pyridin-1-ium-2-ylpiperazine-1-carboxylate CAS Name: 4-(2-pyridin-1-iumyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-pyridin-1-ium-2-ylpiperazine-1-carboxylate Traditional Name: 4-pyridin-1-ium-2-ylpiperazine-1-carboxylic acid ethyl ester Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-2-17-12(16)15-9-7-14(8-10-15)11-5-3-4-6-13-11/h3-6H,2,7-10H2,1H3/p+1