(4-nitrophenyl)methyl N-cyclopropyl-N-[(1-pyrrolidin-3-ylcarbonylpyrrolidin-1-ium-1-yl)methyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-cyclopropyl-N-[(1-pyrrolidin-3-ylcarbonylpyrrolidin-1-ium-1-yl)methyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-cyclopropyl-N-[[1-(pyrrolidine-3-carbonyl)pyrrolidin-1-ium-1-yl]methyl]carbamate CAS Name: N-cyclopropyl-N-[[1-[oxo(3-pyrrolidinyl)methyl]-1-pyrrolidin-1-iumyl]methyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-cyclopropyl-N-[[1-(pyrrolidine-3-carbonyl)pyrrolidin-1-ium-1-yl]methyl]carbamate Traditional Name: N-cyclopropyl-N-[[1-(pyrrolidine-3-carbonyl)pyrrolidin-1-ium-1-yl]methyl]carbamic acid (4-nitrobenzyl) ester Formula: C21H29N4O5+ MolecularWeight: 417.47876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CN(C2CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4CCNC4

Isomeric SMILES

C1CC[N+](C1)(CN(C2CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4CCNC4

InChI

InChI=1S/C21H29N4O5/c26-20(17-9-10-22-13-17)25(11-1-2-12-25)15-23(18-7-8-18)21(27)30-14-16-3-5-19(6-4-16)24(28)29/h3-6,17-18,22H,1-2,7-15H2/q+1