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2-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-ium-1-yl]ethanol

2-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name:2-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-ium-1-yl]ethanol
Openeye Name:2-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol
CAS Name:2-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazin-1-iumyl]ethanol
IUPAC Name:2-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol
Traditional Name:2-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol
Formula: C19H25N4O3+
MolecularWeight: 357.4268
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3


Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3


InChI

InChI=1S/C19H24N4O3/c24-13-12-21-8-10-22(11-9-21)17-6-7-19(23(25)26)18(14-17)20-15-16-4-2-1-3-5-16/h1-7,14,20,24H,8-13,15H2/p+1


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