1-[(3S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-piperidinyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(2-fluoro-4-methoxy-benzyl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C24H33FN3O2+ MolecularWeight: 414.536123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)F

InChI

InChI=1S/C24H32FN3O2/c1-29-21-10-9-19(22(25)16-21)17-26-11-5-6-20(18-26)27-12-14-28(15-13-27)23-7-3-4-8-24(23)30-2/h3-4,7-10,16,20H,5-6,11-15,17-18H2,1-2H3/p+1/t20-/m0/s1