3-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3S)-1-[(E)-3-(4-fluorophenyl)allyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3S)-1-[(E)-3-(4-fluorophenyl)allyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C21H30FN2O+ MolecularWeight: 345.474103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)CC=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@@H]2CCC[NH+](C2)C/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H29FN2O/c22-20-10-7-18(8-11-20)5-3-13-23-14-4-6-19(17-23)9-12-21(25)24-15-1-2-16-24/h3,5,7-8,10-11,19H,1-2,4,6,9,12-17H2/p+1/b5-3+/t19-/m0/s1