3-ethyl-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1H-pyrazole

Systemtic Name: 3-ethyl-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1H-pyrazole Openeye Name: 3-ethyl-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1H-pyrazole CAS Name: 3-ethyl-5-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-4-methyl-1H-pyrazole IUPAC Name: 3-ethyl-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1H-pyrazole Traditional Name: 3-ethyl-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1H-pyrazole Formula: C13H24N3O+ MolecularWeight: 238.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=C1C)C[NH+]2CCC(C2)COC

Isomeric SMILES

CCC1=NNC(=C1C)C[NH+]2CC[C@@H](C2)COC

InChI

InChI=1S/C13H23N3O/c1-4-12-10(2)13(15-14-12)8-16-6-5-11(7-16)9-17-3/h11H,4-9H2,1-3H3,(H,14,15)/p+1/t11-/m0/s1