2-[(2S)-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol Formula: C15H26N3O+ MolecularWeight: 264.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCCCC2CCO)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCCC[C@H]2CCO)CC=C

InChI

InChI=1S/C15H25N3O/c1-3-8-18-12-14(13(2)16-18)11-17-9-5-4-6-15(17)7-10-19/h3,12,15,19H,1,4-11H2,2H3/p+1/t15-/m0/s1