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

Systemtic Name: 1-[(3S)-1-[1-(4-fluoranyl-2-methyl-phenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-[1-(4-fluoro-2-methyl-phenyl)-4-piperidyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-[1-(4-fluoro-2-methylphenyl)-4-piperidinyl]-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-[1-(4-fluoro-2-methyl-phenyl)-4-piperidyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C27H38FN4+ MolecularWeight: 437.615823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)N2CCC(CC2)[NH+]3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)F)N2CCC(CC2)[NH+]3CCC[C@@H](C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H37FN4/c1-22-20-23(28)9-10-27(22)31-14-11-25(12-15-31)32-13-5-8-26(21-32)30-18-16-29(17-19-30)24-6-3-2-4-7-24/h2-4,6-7,9-10,20,25-26H,5,8,11-19,21H2,1H3/p+1/t26-/m0/s1