1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Openeye Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-1-piperidyl]-3-(1H-pyrazol-4-yl)propan-1-one CAS Name: 1-[4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]-3-(1H-pyrazol-4-yl)-1-propanone IUPAC Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Traditional Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidino]-3-(1H-pyrazol-4-yl)propan-1-one Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C(=O)CCC3=CNN=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C(=O)CCC3=CNN=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H32N4O/c28-23(7-6-20-16-24-25-17-20)27-14-10-21(11-15-27)22-9-13-26(18-22)12-8-19-4-2-1-3-5-19/h1-5,16-17,21-22H,6-15,18H2,(H,24,25)/p+1/t22-/m0/s1