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

Systemtic Name: 2-ethoxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H23N3O4/c1-2-26-19-13-15(3-8-18(19)23)14-20-9-11-21(12-10-20)16-4-6-17(7-5-16)22(24)25/h3-8,13,23H,2,9-12,14H2,1H3/p+1