1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium Openeye Name: 1-[(2,2-dimethylchroman-6-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium CAS Name: 1-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium Traditional Name: 1-[(2,2-dimethylchroman-6-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium Formula: C22H28FN2O+ MolecularWeight: 355.468923

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=CC(=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1(CCC2=C(O1)C=CC(=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H27FN2O/c1-22(2)10-9-18-15-17(3-8-21(18)26-22)16-24-11-13-25(14-12-24)20-6-4-19(23)5-7-20/h3-8,15H,9-14,16H2,1-2H3/p+1