1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]pent-4-en-1-one

Systemtic Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]pent-4-en-1-one Openeye Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-1-piperidyl]pent-4-en-1-one CAS Name: 1-[4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]-4-penten-1-one IUPAC Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]pent-4-en-1-one Traditional Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidino]pent-4-en-1-one Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCC(CC1)C2CC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

C=CCCC(=O)N1CCC(CC1)[C@H]2CC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H32N2O/c1-2-3-9-22(25)24-16-12-20(13-17-24)21-11-15-23(18-21)14-10-19-7-5-4-6-8-19/h2,4-8,20-21H,1,3,9-18H2/p+1/t21-/m0/s1