[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoranyl-4-methoxy-phenyl)methanone

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoranyl-4-methoxy-phenyl)methanone Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoro-4-methoxy-phenyl)methanone CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-fluoro-4-methoxyphenyl)methanone IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoro-4-methoxyphenyl)methanone Traditional Name: (3-fluoro-4-methoxy-phenyl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C21H26FN2O4+ MolecularWeight: 389.440543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)F)OC

InChI

InChI=1S/C21H25FN2O4/c1-26-18-7-5-16(13-17(18)22)21(25)24-10-8-23(9-11-24)14-15-4-6-19(27-2)20(12-15)28-3/h4-7,12-13H,8-11,14H2,1-3H3/p+1