ethyl 4-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CC=NC=C3

InChI

InChI=1S/C18H28N4O2/c1-2-24-18(23)22-12-10-21(11-13-22)17-4-3-9-20(15-17)14-16-5-7-19-8-6-16/h5-8,17H,2-4,9-15H2,1H3/p+1/t17-/m0/s1