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

Systemtic Name: [1-[4-(4-cyclohexylphenyl)piperazin-1-yl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-phenyl-methanone Openeye Name: [1-[4-(4-cyclohexylphenyl)piperazin-1-yl]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-methanone CAS Name: [1-[4-(4-cyclohexylphenyl)-1-piperazinyl]-3-oxido-4-benzotriazol-3-iumyl]-phenylmethanone IUPAC Name: [1-[4-(4-cyclohexylphenyl)piperazin-1-yl]-3-oxidobenzotriazol-3-ium-4-yl]-phenylmethanone Traditional Name: [1-[4-(4-cyclohexylphenyl)piperazino]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-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)N4C5=CC=CC(=C5[N+](=N4)[O-])C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N3CCN(CC3)N4C5=CC=CC(=C5[N+](=N4)[O-])C(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H31N5O2/c35-29(24-10-5-2-6-11-24)26-12-7-13-27-28(26)34(36)30-33(27)32-20-18-31(19-21-32)25-16-14-23(15-17-25)22-8-3-1-4-9-22/h2,5-7,10-17,22H,1,3-4,8-9,18-21H2