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

Systemtic Name: tert-butyl N-[[3-[(2R)-piperidin-1-ium-2-yl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[(2R)-piperidin-1-ium-2-yl]phenyl]methyl]carbamate CAS Name: N-[[3-[(2R)-2-piperidin-1-iumyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[(2R)-piperidin-1-ium-2-yl]phenyl]methyl]carbamate Traditional Name: N-[3-[(2R)-piperidin-1-ium-2-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(=C1)C2CCCC[NH2+]2

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-13-7-6-8-14(11-13)15-9-4-5-10-18-15/h6-8,11,15,18H,4-5,9-10,12H2,1-3H3,(H,19,20)/p+1/t15-/m1/s1