[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

Systemtic Name: [(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone Openeye Name: [(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone CAS Name: [(3R)-3-(1-phenethyl-4-piperidin-1-iumyl)-1-pyrrolidinyl]-(1H-pyrazol-5-yl)methanone IUPAC Name: [(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone Traditional Name: [(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidino]-(1H-pyrazol-5-yl)methanone Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)C3=CC=NN3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)C4=CC=NN4

InChI

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