tert-butyl 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidine-1-carboxylate CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidine-1-carboxylate Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C19H32N4O2+2 MolecularWeight: 348.48298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H30N4O2/c1-19(2,3)25-18(24)23-10-7-16(8-11-23)21-12-14-22(15-13-21)17-6-4-5-9-20-17/h4-6,9,16H,7-8,10-15H2,1-3H3/p+2