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

Systemtic Name: 8-[4-[4-(3-oxidanidylbenzotriazol-3-ium-1-yl)carbonylphenyl]phenoxy]-1-piperidin-1-yl-octan-1-one Openeye Name: 8-[4-[4-(3-oxidobenzotriazol-3-ium-1-carbonyl)phenyl]phenoxy]-1-(1-piperidyl)octan-1-one CAS Name: 8-[4-[4-[(3-oxido-1-benzotriazol-3-iumyl)-oxomethyl]phenyl]phenoxy]-1-(1-piperidinyl)-1-octanone IUPAC Name: 8-[4-[4-(3-oxidobenzotriazol-3-ium-1-carbonyl)phenyl]phenoxy]-1-piperidin-1-yloctan-1-one Traditional Name: 8-[4-[4-(3-oxidobenzotriazol-3-ium-1-carbonyl)phenyl]phenoxy]-1-piperidino-octan-1-one Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCCCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CCCCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C32H36N4O4/c37-31(34-22-8-4-9-23-34)13-5-2-1-3-10-24-40-28-20-18-26(19-21-28)25-14-16-27(17-15-25)32(38)35-29-11-6-7-12-30(29)36(39)33-35/h6-7,11-12,14-21H,1-5,8-10,13,22-24H2