tert-butyl 1-methanoyl-4-piperidin-4-yl-piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-methanoyl-4-piperidin-4-yl-piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-formyl-4-(4-piperidyl)piperidin-1-ium-1-carboxylate CAS Name: 1-formyl-4-(4-piperidinyl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-formyl-4-piperidin-4-ylpiperidin-1-ium-1-carboxylate Traditional Name: 1-formyl-4-(4-piperidyl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C16H29N2O3+ MolecularWeight: 297.41306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C2CCNCC2)C=O

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C2CCNCC2)C=O

InChI

InChI=1S/C16H29N2O3/c1-16(2,3)21-15(20)18(12-19)10-6-14(7-11-18)13-4-8-17-9-5-13/h12-14,17H,4-11H2,1-3H3/q+1