1-[bis(4-fluorophenyl)methyl]-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[bis(4-fluorophenyl)methyl]-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[bis(4-fluorophenyl)methyl]-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-[bis(4-fluorophenyl)methyl]-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium Formula: C26H29F2N2O+ MolecularWeight: 423.518066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H28F2N2O/c1-19-3-12-25(31-2)22(17-19)18-29-13-15-30(16-14-29)26(20-4-8-23(27)9-5-20)21-6-10-24(28)11-7-21/h3-12,17,26H,13-16,18H2,1-2H3/p+1