1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(2-fluorophenyl)piperazin-1-ium Formula: C20H26FN2O2+ MolecularWeight: 345.431043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3F)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3F)OC

InChI

InChI=1S/C20H25FN2O2/c1-3-25-20-14-16(8-9-19(20)24-2)15-22-10-12-23(13-11-22)18-7-5-4-6-17(18)21/h4-9,14H,3,10-13,15H2,1-2H3/p+1