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

Systemtic Name: (4-nitrophenyl)methyl N-[(1-cyclopropylpyrrolidin-1-ium-1-yl)methyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[(1-cyclopropylpyrrolidin-1-ium-1-yl)methyl]carbamate CAS Name: N-[(1-cyclopropyl-1-pyrrolidin-1-iumyl)methyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[(1-cyclopropylpyrrolidin-1-ium-1-yl)methyl]carbamate Traditional Name: N-[(1-cyclopropylpyrrolidin-1-ium-1-yl)methyl]carbamic acid (4-nitrobenzyl) ester Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC3

Isomeric SMILES

C1CC[N+](C1)(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C16H21N3O4/c20-16(17-12-19(15-7-8-15)9-1-2-10-19)23-11-13-3-5-14(6-4-13)18(21)22/h3-6,15H,1-2,7-12H2/p+1