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

Systemtic Name: ethyl 4-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(3S)-3-pyrrolidin-1-ium-1-yl-1-piperidyl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(3S)-3-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C16H27N4O2+ MolecularWeight: 307.41118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCC[C@@H](C2)[NH+]3CCCC3

InChI

InChI=1S/C16H26N4O2/c1-2-22-16(21)15-13(10-17-18-15)11-19-7-5-6-14(12-19)20-8-3-4-9-20/h10,14H,2-9,11-12H2,1H3,(H,17,18)/p+1/t14-/m0/s1