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

Systemtic Name: 4-(phenylmethoxymethyl)-4-[phenyl(piperidin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 4-(benzyloxymethyl)-4-[phenyl(1-piperidyl)methyl]-1H-1,2,4-triazol-4-ium-5-one CAS Name: 4-(phenylmethoxymethyl)-4-[phenyl(1-piperidinyl)methyl]-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 4-(phenylmethoxymethyl)-4-[phenyl(piperidin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 4-(benzoxymethyl)-4-[phenyl(piperidino)methyl]-1H-1,2,4-triazol-4-ium-5-one Formula: C22H27N4O2+ MolecularWeight: 379.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c27-22-24-23-17-26(22,18-28-16-19-10-4-1-5-11-19)21(20-12-6-2-7-13-20)25-14-8-3-9-15-25/h1-2,4-7,10-13,17,21H,3,8-9,14-16,18H2/p+1