1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)propyl]-4-(4-fluorophenyl)-1-methyl-piperazin-1-ium

Systemtic Name: 1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)propyl]-4-(4-fluorophenyl)-1-methyl-piperazin-1-ium Openeye Name: 1-[3-(6,7-dimethoxyisochroman-1-yl)propyl]-4-(4-fluorophenyl)-1-methyl-piperazin-1-ium CAS Name: 1-[3-(6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)propyl]-4-(4-fluorophenyl)-1-methylpiperazin-1-ium IUPAC Name: 1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)propyl]-4-(4-fluorophenyl)-1-methylpiperazin-1-ium Traditional Name: 1-[3-(6,7-dimethoxyisochroman-1-yl)propyl]-4-(4-fluorophenyl)-1-methyl-piperazin-1-ium Formula: C25H34FN2O3+ MolecularWeight: 429.547463

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=C(C=C2)F)CCCC3C4=CC(=C(C=C4CCO3)OC)OC

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=C(C=C2)F)CCCC3C4=CC(=C(C=C4CCO3)OC)OC

InChI

InChI=1S/C25H34FN2O3/c1-28(14-11-27(12-15-28)21-8-6-20(26)7-9-21)13-4-5-23-22-18-25(30-3)24(29-2)17-19(22)10-16-31-23/h6-9,17-18,23H,4-5,10-16H2,1-3H3/q+1