1-[(2S)-butan-2-yl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium Openeye Name: 1-[(1S)-1-methylpropyl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium CAS Name: 1-[(2S)-butan-2-yl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium Traditional Name: 1-[(1S)-1-methylpropyl]-4-(4-nitrobenzyl)piperazin-1-ium Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(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+1/t13-/m0/s1