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

Systemtic Name: [4-[4-(4-cyclohexylphenyl)piperazin-1-yl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-[4-(4-cyclohexylphenyl)piperazin-1-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-[4-(4-cyclohexylphenyl)-1-piperazinyl]phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-[4-(4-cyclohexylphenyl)piperazin-1-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-[4-(4-cyclohexylphenyl)piperazino]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)N5C6=CC=CC=C6[N+](=N5)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)N5C6=CC=CC=C6[N+](=N5)[O-]

InChI

InChI=1S/C29H31N5O2/c35-29(33-27-8-4-5-9-28(27)34(36)30-33)24-12-16-26(17-13-24)32-20-18-31(19-21-32)25-14-10-23(11-15-25)22-6-2-1-3-7-22/h4-5,8-17,22H,1-3,6-7,18-21H2