[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-(phenylmethyl)piperidin-1-ium-1-yl]carbamic acid

Systemtic Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-(phenylmethyl)piperidin-1-ium-1-yl]carbamic acid Openeye Name: [1-benzyl-3-[(tert-butoxycarbonylamino)methyl]piperidin-1-ium-1-yl]carbamic acid CAS Name: [3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-(phenylmethyl)-1-piperidin-1-iumyl]carbamic acid IUPAC Name: [1-benzyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-ium-1-yl]carbamic acid Traditional Name: [1-benzyl-3-[(tert-butoxycarbonylamino)methyl]piperidin-1-ium-1-yl]carbamic acid Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC[N+](C1)(CC2=CC=CC=C2)NC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC[N+](C1)(CC2=CC=CC=C2)NC(=O)O

InChI

InChI=1S/C19H29N3O4/c1-19(2,3)26-18(25)20-12-16-10-7-11-22(14-16,21-17(23)24)13-15-8-5-4-6-9-15/h4-6,8-9,16,21H,7,10-14H2,1-3H3,(H-,20,23,24,25)/p+1