[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: [4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Traditional Name: [4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4/c1-31-23-16-19(17-24(32-2)25(23)29)18-27-12-14-28(15-13-27)26(30)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,16-17,29H,12-15,18H2,1-2H3/p+1