tert-butyl 3-azanyl-1-(phenylmethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3-azanyl-1-(phenylmethyl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-amino-1-benzyl-piperidin-1-ium-1-carboxylate CAS Name: 3-amino-1-(phenylmethyl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-1-benzylpiperidin-1-ium-1-carboxylate Traditional Name: 3-amino-1-benzyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC(C1)N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC(C1)N)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N2O2/c1-17(2,3)21-16(20)19(11-7-10-15(18)13-19)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13,18H2,1-3H3/q+1