3-(furan-2-yl)-1-[4-[(3S)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]propan-1-one

Systemtic Name: 3-(furan-2-yl)-1-[4-[(3S)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]propan-1-one Openeye Name: 3-(2-furyl)-1-[4-[(3S)-1-phenethylpyrrolidin-1-ium-3-yl]-1-piperidyl]propan-1-one CAS Name: 3-(2-furanyl)-1-[4-[(3S)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(furan-2-yl)-1-[4-[(3S)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]propan-1-one Traditional Name: 3-(2-furyl)-1-[4-[(3S)-1-phenethylpyrrolidin-1-ium-3-yl]piperidino]propan-1-one Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C(=O)CCC3=CC=CO3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1C2CCN(CC2)C(=O)CCC3=CC=CO3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H32N2O2/c27-24(9-8-23-7-4-18-28-23)26-16-12-21(13-17-26)22-11-15-25(19-22)14-10-20-5-2-1-3-6-20/h1-7,18,21-22H,8-17,19H2/p+1/t22-/m1/s1