tert-butyl 4-(1-methyl-1-pentadecyl-piperidin-1-ium-4-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-methyl-1-pentadecyl-piperidin-1-ium-4-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(1-methyl-1-pentadecyl-piperidin-1-ium-4-yl)piperidine-1-carboxylate CAS Name: 4-(1-methyl-1-pentadecyl-4-piperidin-1-iumyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-methyl-1-pentadecylpiperidin-1-ium-4-yl)piperidine-1-carboxylate Traditional Name: 4-(1-methyl-1-pentadecyl-piperidin-1-ium-4-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C31H61N2O2+ MolecularWeight: 493.82824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC[N+]1(CCC(CC1)C2CCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCC[N+]1(CCC(CC1)C2CCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C31H61N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-33(5)26-21-29(22-27-33)28-19-23-32(24-20-28)30(34)35-31(2,3)4/h28-29H,6-27H2,1-5H3/q+1