3-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[(1R)-2-(3,5-dimethylpyrazol-1-yl)-1-methyl-ethyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[(2R)-1-(3,5-dimethyl-1-pyrazolyl)propan-2-yl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[(1R)-2-(3,5-dimethylpyrazol-1-yl)-1-methyl-ethyl]piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C20H35N4O+ MolecularWeight: 347.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)[NH+]2CCC(CC2)CCC(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=NN1C[C@@H](C)[NH+]2CCC(CC2)CCC(=O)N3CCCC3)C

InChI

InChI=1S/C20H34N4O/c1-16-14-17(2)24(21-16)15-18(3)22-12-8-19(9-13-22)6-7-20(25)23-10-4-5-11-23/h14,18-19H,4-13,15H2,1-3H3/p+1/t18-/m1/s1