[4-(cyanomethoxy)-3-iodanyl-5-methoxy-phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [4-(cyanomethoxy)-3-iodanyl-5-methoxy-phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-(cyanomethoxy)-3-iodo-5-methoxy-phenyl]methyl]ammonium CAS Name: [4-(cyanomethoxy)-3-iodo-5-methoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-(cyanomethoxy)-3-iodo-5-methoxyphenyl]methyl]azanium Traditional Name: benzyl-[4-(cyanomethoxy)-3-iodo-5-methoxy-benzyl]ammonium Formula: C17H18IN2O2+ MolecularWeight: 409.24149

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)I)OCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)I)OCC#N

InChI

InChI=1S/C17H17IN2O2/c1-21-16-10-14(9-15(18)17(16)22-8-7-19)12-20-11-13-5-3-2-4-6-13/h2-6,9-10,20H,8,11-12H2,1H3/p+1