1-piperidin-1-ylcarbonyloxypropyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate

Systemtic Name: 1-piperidin-1-ylcarbonyloxypropyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate Openeye Name: 1-(piperidine-1-carbonyloxy)propyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate CAS Name: 1-(aminomethyl)-2-pyridin-1-iumcarboxylic acid 1-[oxo(1-piperidinyl)methoxy]propyl ester IUPAC Name: 1-(piperidine-1-carbonyloxy)propyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate Traditional Name: 1-(aminomethyl)pyridin-1-ium-2-carboxylic acid 1-(piperidine-1-carbonyloxy)propyl ester Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)C1=CC=CC=[N+]1CN)OC(=O)N2CCCCC2

Isomeric SMILES

CCC(OC(=O)C1=CC=CC=[N+]1CN)OC(=O)N2CCCCC2

InChI

InChI=1S/C16H24N3O4/c1-2-14(23-16(21)18-9-5-3-6-10-18)22-15(20)13-8-4-7-11-19(13)12-17/h4,7-8,11,14H,2-3,5-6,9-10,12,17H2,1H3/q+1