4-[(3-iodanylphenyl)methoxymethyl]-4-[phenyl(piperidin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-5-one

Systemtic Name: 4-[(3-iodanylphenyl)methoxymethyl]-4-[phenyl(piperidin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 4-[(3-iodophenyl)methoxymethyl]-4-[phenyl(1-piperidyl)methyl]-1H-1,2,4-triazol-4-ium-5-one CAS Name: 4-[(3-iodophenyl)methoxymethyl]-4-[phenyl(1-piperidinyl)methyl]-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 4-[(3-iodophenyl)methoxymethyl]-4-[phenyl(piperidin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 4-[(3-iodobenzyl)oxymethyl]-4-[phenyl(piperidino)methyl]-1H-1,2,4-triazol-4-ium-5-one Formula: C22H26IN4O2+ MolecularWeight: 505.37191

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C2=CC=CC=C2)[N+]3(C=NNC3=O)COCC4=CC(=CC=C4)I

Isomeric SMILES

C1CCN(CC1)C(C2=CC=CC=C2)[N+]3(C=NNC3=O)COCC4=CC(=CC=C4)I

InChI

InChI=1S/C22H25IN4O2/c23-20-11-7-8-18(14-20)15-29-17-27(16-24-25-22(27)28)21(19-9-3-1-4-10-19)26-12-5-2-6-13-26/h1,3-4,7-11,14,16,21H,2,5-6,12-13,15,17H2/p+1