(4-nitrophenyl)methyl 2-(3-azanylpyrrolidin-1-yl)carbonyl-1-methyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-azanylpyrrolidin-1-yl)carbonyl-1-methyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(3-aminopyrrolidine-1-carbonyl)-1-methyl-pyrrolidin-1-ium-1-carboxylate CAS Name: 2-[(3-amino-1-pyrrolidinyl)-oxomethyl]-1-methyl-1-pyrrolidin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-aminopyrrolidine-1-carbonyl)-1-methylpyrrolidin-1-ium-1-carboxylate Traditional Name: 2-(3-aminopyrrolidine-1-carbonyl)-1-methyl-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)N2CCC(C2)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1C(=O)N2CCC(C2)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N4O5/c1-22(10-2-3-16(22)17(23)20-9-8-14(19)11-20)18(24)27-12-13-4-6-15(7-5-13)21(25)26/h4-7,14,16H,2-3,8-12,19H2,1H3/q+1