[4-[4-(4-hexylphenyl)piperazin-1-yl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [4-[4-(4-hexylphenyl)piperazin-1-yl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-[4-(4-hexylphenyl)piperazin-1-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-[4-(4-hexylphenyl)-1-piperazinyl]phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-[4-(4-hexylphenyl)piperazin-1-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-[4-(4-hexylphenyl)piperazino]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C29H33N5O2 MolecularWeight: 483.60462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C29H33N5O2/c1-2-3-4-5-8-23-11-15-25(16-12-23)31-19-21-32(22-20-31)26-17-13-24(14-18-26)29(35)33-27-9-6-7-10-28(27)34(36)30-33/h6-7,9-18H,2-5,8,19-22H2,1H3