1-(4-fluorophenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Formula: C19H22FN2O3+ MolecularWeight: 345.387983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H21FN2O3/c1-23-17-10-14(11-18-19(17)25-13-24-18)12-21-6-8-22(9-7-21)16-4-2-15(20)3-5-16/h2-5,10-11H,6-9,12-13H2,1H3/p+1