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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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