ethyl 4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3-nitrobenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-2-21-14(18)16-8-6-15(7-9-16)11-12-4-3-5-13(10-12)17(19)20/h3-5,10H,2,6-9,11H2,1H3/p+1