3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide

Systemtic Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: 3-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)propanamide IUPAC Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C27H30F2N3O2+ MolecularWeight: 466.542806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H29F2N3O2/c1-34-25-5-3-2-4-24(25)30-26(33)14-15-31-16-18-32(19-17-31)27(20-6-10-22(28)11-7-20)21-8-12-23(29)13-9-21/h2-13,27H,14-19H2,1H3,(H,30,33)/p+1