tert-butyl 1-(methylamino)-4-(phenylmethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(methylamino)-4-(phenylmethyl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-benzyl-1-(methylamino)piperidin-1-ium-1-carboxylate CAS Name: 1-(methylamino)-4-(phenylmethyl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-1-(methylamino)piperidin-1-ium-1-carboxylate Traditional Name: 4-benzyl-1-(methylamino)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CC2=CC=CC=C2)NC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CC2=CC=CC=C2)NC

InChI

InChI=1S/C18H29N2O2/c1-18(2,3)22-17(21)20(19-4)12-10-16(11-13-20)14-15-8-6-5-7-9-15/h5-9,16,19H,10-14H2,1-4H3/q+1