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

Systemtic Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]phenol Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3O

InChI

InChI=1S/C17H19N3O3/c21-17-7-2-1-6-16(17)19-10-8-18(9-11-19)13-14-4-3-5-15(12-14)20(22)23/h1-7,12,21H,8-11,13H2/p+1