methyl N-tert-butyl-N-[1-(5-nitropyridin-3-yl)pyrrolidin-1-ium-1-yl]carbamate

Systemtic Name: methyl N-tert-butyl-N-[1-(5-nitropyridin-3-yl)pyrrolidin-1-ium-1-yl]carbamate Openeye Name: methyl N-tert-butyl-N-[1-(5-nitro-3-pyridyl)pyrrolidin-1-ium-1-yl]carbamate CAS Name: N-tert-butyl-N-[1-(5-nitro-3-pyridinyl)-1-pyrrolidin-1-iumyl]carbamic acid methyl ester IUPAC Name: methyl N-tert-butyl-N-[1-(5-nitropyridin-3-yl)pyrrolidin-1-ium-1-yl]carbamate Traditional Name: N-tert-butyl-N-[1-(5-nitro-3-pyridyl)pyrrolidin-1-ium-1-yl]carbamic acid methyl ester Formula: C15H23N4O4+ MolecularWeight: 323.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(=O)OC)[N+]1(CCCC1)C2=CN=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N(C(=O)OC)[N+]1(CCCC1)C2=CN=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N4O4/c1-15(2,3)17(14(20)23-4)19(7-5-6-8-19)13-9-12(18(21)22)10-16-11-13/h9-11H,5-8H2,1-4H3/q+1