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

Systemtic Name: 4-[(3-phenylphenyl)methoxymethyl]-4-[phenyl(piperidin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 4-[(3-phenylphenyl)methoxymethyl]-4-[phenyl(1-piperidyl)methyl]-1H-1,2,4-triazol-4-ium-5-one CAS Name: 4-[(3-phenylphenyl)methoxymethyl]-4-[phenyl(1-piperidinyl)methyl]-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 4-[(3-phenylphenyl)methoxymethyl]-4-[phenyl(piperidin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 4-[(3-phenylbenzyl)oxymethyl]-4-[phenyl(piperidino)methyl]-1H-1,2,4-triazol-4-ium-5-one Formula: C28H31N4O2+ MolecularWeight: 455.57134

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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)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(C2=CC=CC=C2)[N+]3(C=NNC3=O)COCC4=CC=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2/c33-28-30-29-21-32(28,27(25-14-6-2-7-15-25)31-17-8-3-9-18-31)22-34-20-23-11-10-16-26(19-23)24-12-4-1-5-13-24/h1-2,4-7,10-16,19,21,27H,3,8-9,17-18,20,22H2/p+1