[(3S)-1-[(5-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(5-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(1-allyl-5-methyl-pyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(5-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-3-pyrrolidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(1-allyl-5-methyl-pyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]methanol Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC=C)C[NH+]2CCC(C2)CO

Isomeric SMILES

CC1=C(C=NN1CC=C)C[NH+]2CC[C@@H](C2)CO

InChI

InChI=1S/C13H21N3O/c1-3-5-16-11(2)13(7-14-16)9-15-6-4-12(8-15)10-17/h3,7,12,17H,1,4-6,8-10H2,2H3/p+1/t12-/m0/s1