1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-one

Systemtic Name: 1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-one Openeye Name: 1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-one CAS Name: 1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumone IUPAC Name: 1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-one Traditional Name: 1-(3-nitrobenzyl)piperidin-1-ium-4-one Formula: C12H15N2O3+ MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1=O)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O3/c15-12-4-6-13(7-5-12)9-10-2-1-3-11(8-10)14(16)17/h1-3,8H,4-7,9H2/p+1