methyl-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-1-ium-4-yl]methyl]azanium

Systemtic Name: methyl-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-1-ium-4-yl]methyl]azanium Openeye Name: [2-(4-tert-butoxycarbonylpiperazin-1-yl)pyridin-1-ium-4-yl]methyl-methyl-ammonium CAS Name: methyl-[[2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-pyridin-1-iumyl]methyl]ammonium IUPAC Name: methyl-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-1-ium-4-yl]methyl]azanium Traditional Name: [2-(4-tert-butoxycarbonylpiperazino)pyridin-1-ium-4-yl]methyl-methyl-ammonium Formula: C16H28N4O2+2 MolecularWeight: 308.41912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=[NH+]C=CC(=C2)C[NH2+]C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=[NH+]C=CC(=C2)C[NH2+]C

InChI

InChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)20-9-7-19(8-10-20)14-11-13(12-17-4)5-6-18-14/h5-6,11,17H,7-10,12H2,1-4H3/p+2