2-iodanyl-6-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-iodanyl-6-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-iodo-6-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-iodo-6-methoxy-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-iodo-6-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-iodo-6-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C18H21IN3O4+ MolecularWeight: 470.28151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20IN3O4/c1-26-17-11-13(10-16(19)18(17)23)12-20-6-8-21(9-7-20)14-2-4-15(5-3-14)22(24)25/h2-5,10-11,23H,6-9,12H2,1H3/p+1