2-iodanyl-6-methoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2-iodanyl-6-methoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2-iodo-6-methoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-iodo-6-methoxy-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-iodo-6-methoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2-iodo-6-methoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Formula: C17H22IN3O2+2 MolecularWeight: 427.27995

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)I)O

InChI

InChI=1S/C17H20IN3O2/c1-23-15-11-13(10-14(18)17(15)22)12-20-6-8-21(9-7-20)16-4-2-3-5-19-16/h2-5,10-11,22H,6-9,12H2,1H3/p+2