(4-nitrophenyl)methyl N-[1-(1-methylpyrrolidin-1-ium-1-yl)ethyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[1-(1-methylpyrrolidin-1-ium-1-yl)ethyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[1-(1-methylpyrrolidin-1-ium-1-yl)ethyl]carbamate CAS Name: N-[1-(1-methyl-1-pyrrolidin-1-iumyl)ethyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-(1-methylpyrrolidin-1-ium-1-yl)ethyl]carbamate Traditional Name: N-[1-(1-methylpyrrolidin-1-ium-1-yl)ethyl]carbamic acid (4-nitrobenzyl) ester Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[N+]2(CCCC2)C

Isomeric SMILES

CC(NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[N+]2(CCCC2)C

InChI

InChI=1S/C15H21N3O4/c1-12(18(2)9-3-4-10-18)16-15(19)22-11-13-5-7-14(8-6-13)17(20)21/h5-8,12H,3-4,9-11H2,1-2H3/p+1