1-[(3-nitrophenyl)methyl]-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-isopropyl-4-[(3-nitrophenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-nitrophenyl)methyl]-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-isopropyl-4-(3-nitrobenzyl)piperazin-1-ium Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O2/c1-12(2)16-8-6-15(7-9-16)11-13-4-3-5-14(10-13)17(18)19/h3-5,10,12H,6-9,11H2,1-2H3/p+1