1-[(3-nitrophenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium Openeye Name: 1-isopropyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-nitrophenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium Traditional Name: 1-isopropyl-4-(3-nitrobenzyl)piperazine-1,4-diium Formula: C14H23N3O2+2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[NH+]1CC[NH+](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+2