1-[(2S)-butan-2-yl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(1S)-1-methylpropyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(1S)-1-methylpropyl]-4-(4-nitrobenzyl)piperazine-1,4-diium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2/c1-3-13(2)17-10-8-16(9-11-17)12-14-4-6-15(7-5-14)18(19)20/h4-7,13H,3,8-12H2,1-2H3/p+2/t13-/m0/s1