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

Systemtic Name: [4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone Openeye Name: [4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-1-piperidyl]-(1H-pyrazol-4-yl)methanone CAS Name: [4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]-(1H-pyrazol-4-yl)methanone IUPAC Name: [4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone Traditional Name: [4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidino]-(1H-pyrazol-4-yl)methanone Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c26-21(20-14-22-23-15-20)25-12-8-18(9-13-25)19-7-11-24(16-19)10-6-17-4-2-1-3-5-17/h1-5,14-15,18-19H,6-13,16H2,(H,22,23)/p+1/t19-/m0/s1