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

Systemtic Name: 4-bromanyl-2-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C18H21BrN3O3+ MolecularWeight: 407.28164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H20BrN3O3/c19-16-4-5-18(23)15(11-16)13-21-8-6-20(7-9-21)12-14-2-1-3-17(10-14)22(24)25/h1-5,10-11,23H,6-9,12-13H2/p+1