tert-butyl N-[[2-[(3R)-piperidin-1-ium-3-yl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[2-[(3R)-piperidin-1-ium-3-yl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[2-[(3R)-piperidin-1-ium-3-yl]phenyl]methyl]carbamate CAS Name: N-[[2-[(3R)-3-piperidin-1-iumyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-[(3R)-piperidin-1-ium-3-yl]phenyl]methyl]carbamate Traditional Name: N-[2-[(3R)-piperidin-1-ium-3-yl]benzyl]carbamic acid tert-butyl ester Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=CC=C1C2CCC[NH2+]C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=CC=C1[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-14-7-4-5-9-15(14)13-8-6-10-18-11-13/h4-5,7,9,13,18H,6,8,10-12H2,1-3H3,(H,19,20)/p+1/t13-/m0/s1