(2-methylpropan-2-yl)oxycarbonyl-[(4-oxidanyl-1-pyridin-1-ium-4-yl-piperidin-4-yl)methyl]azanium dichloride

Systemtic Name: (2-methylpropan-2-yl)oxycarbonyl-[(4-oxidanyl-1-pyridin-1-ium-4-yl-piperidin-4-yl)methyl]azanium dichloride Openeye Name: tert-butoxycarbonyl-[(4-hydroxy-1-pyridin-1-ium-4-yl-4-piperidyl)methyl]ammonium dichloride CAS Name: [4-hydroxy-1-(4-pyridin-1-iumyl)-4-piperidinyl]methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]ammonium dichloride IUPAC Name: (4-hydroxy-1-pyridin-1-ium-4-ylpiperidin-4-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium dichloride Traditional Name: tert-butoxycarbonyl-[(4-hydroxy-1-pyridin-1-ium-4-yl-4-piperidyl)methyl]ammonium dichloride Formula: C16H27Cl2N3O3 MolecularWeight: 380.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[NH2+]CC1(CCN(CC1)C2=CC=[NH+]C=C2)O.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)OC(=O)[NH2+]CC1(CCN(CC1)C2=CC=[NH+]C=C2)O.[Cl-].[Cl-]

InChI

InChI=1S/C16H25N3O3.2ClH/c1-15(2,3)22-14(20)18-12-16(21)6-10-19(11-7-16)13-4-8-17-9-5-13;;/h4-5,8-9,21H,6-7,10-12H2,1-3H3,(H,18,20);2*1H