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

Systemtic Name: (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]methanone Openeye Name: (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]methanone CAS Name: (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(1-phenethyl-4-piperidin-1-iumyl)-1-pyrrolidinyl]methanone IUPAC Name: (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]methanone Traditional Name: (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidino]methanone Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)N2CCC(C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)C(=O)N2CC[C@@H](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O/c1-17-15-21(24-23-17)22(27)26-14-10-20(16-26)19-8-12-25(13-9-19)11-7-18-5-3-2-4-6-18/h2-6,15,19-20H,7-14,16H2,1H3,(H,23,24)/p+1/t20-/m0/s1