(4-nitrophenyl)methyl 1-methyl-2-(pyrrolidin-3-ylcarbamoyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-methyl-2-(pyrrolidin-3-ylcarbamoyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-methyl-2-(pyrrolidin-3-ylcarbamoyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-methyl-2-[oxo-(3-pyrrolidinylamino)methyl]-1-pyrrolidin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-methyl-2-(pyrrolidin-3-ylcarbamoyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-methyl-2-(pyrrolidin-3-ylcarbamoyl)pyrrolidin-1-ium-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H25N4O5+ MolecularWeight: 377.4149

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C(=O)NC2CCNC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1C(=O)NC2CCNC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O5/c1-22(10-2-3-16(22)17(23)20-14-8-9-19-11-14)18(24)27-12-13-4-6-15(7-5-13)21(25)26/h4-7,14,16,19H,2-3,8-12H2,1H3/p+1