1-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]-4-(4-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]-4-(4-fluorophenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-piperidyl]-4-(4-fluorophenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(1-ethyl-4-piperidin-1-iumyl)-3-piperidinyl]-4-(4-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]-4-(4-fluorophenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-piperidyl]-4-(4-fluorophenyl)piperazin-1-ium Formula: C22H37FN4+2 MolecularWeight: 376.554383

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCC(CC1)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H35FN4/c1-2-24-12-9-21(10-13-24)27-11-3-4-22(18-27)26-16-14-25(15-17-26)20-7-5-19(23)6-8-20/h5-8,21-22H,2-4,9-18H2,1H3/p+2/t22-/m0/s1