8-[4-[4-[(3-oxidanidylbenzotriazol-3-ium-1-yl)methyl]phenyl]phenoxy]-1-piperidin-1-yl-octan-1-one

Systemtic Name: 8-[4-[4-[(3-oxidanidylbenzotriazol-3-ium-1-yl)methyl]phenyl]phenoxy]-1-piperidin-1-yl-octan-1-one Openeye Name: 8-[4-[4-[(3-oxidobenzotriazol-3-ium-1-yl)methyl]phenyl]phenoxy]-1-(1-piperidyl)octan-1-one CAS Name: 8-[4-[4-[(3-oxido-1-benzotriazol-3-iumyl)methyl]phenyl]phenoxy]-1-(1-piperidinyl)-1-octanone IUPAC Name: 8-[4-[4-[(3-oxidobenzotriazol-3-ium-1-yl)methyl]phenyl]phenoxy]-1-piperidin-1-yloctan-1-one Traditional Name: 8-[4-[4-[(3-oxidobenzotriazol-3-ium-1-yl)methyl]phenyl]phenoxy]-1-piperidino-octan-1-one Formula: C32H38N4O3 MolecularWeight: 526.66912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCCCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)CN4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CCCCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)CN4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C32H38N4O3/c37-32(34-22-8-4-9-23-34)13-5-2-1-3-10-24-39-29-20-18-28(19-21-29)27-16-14-26(15-17-27)25-35-30-11-6-7-12-31(30)36(38)33-35/h6-7,11-12,14-21H,1-5,8-10,13,22-25H2