tert-butyl 2-[4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-ium-1-yl]-1-[[(E)-(phenylmethylidene)amino]methyl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-ium-1-yl]-1-[[(E)-(phenylmethylidene)amino]methyl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 2-[4-(aminomethyl)-1-tert-butoxycarbonyl-piperidin-1-ium-1-yl]-1-[[(E)-benzylideneamino]methyl]piperidin-1-ium-1-carboxylate CAS Name: 2-[4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperidin-1-iumyl]-1-[[(E)-(phenylmethylene)amino]methyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-ium-1-yl]-1-[[(E)-benzylideneamino]methyl]piperidin-1-ium-1-carboxylate Traditional Name: 2-[4-(aminomethyl)-1-tert-butoxycarbonyl-piperidin-1-ium-1-yl]-1-[[(E)-benzalamino]methyl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C29H48N4O4+2 MolecularWeight: 516.71582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CN)C2CCCC[N+]2(CN=CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CN)C2CCCC[N+]2(C/N=C/C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H48N4O4/c1-28(2,3)36-26(34)32(18-15-23(20-30)16-19-32)25-14-10-11-17-33(25,27(35)37-29(4,5)6)22-31-21-24-12-8-7-9-13-24/h7-9,12-13,21,23,25H,10-11,14-20,22,30H2,1-6H3/q+2/b31-21+