2-methoxy-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-5-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H21N3O4/c1-25-18-7-2-14(12-17(18)22)13-19-8-10-20(11-9-19)15-3-5-16(6-4-15)21(23)24/h2-7,12,22H,8-11,13H2,1H3/p+1