[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-benzyl-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-benzyl-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-benzyl-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCCC(C2)(CC3=CC=CC=C3)CO)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC[C@@](C2)(CC3=CC=CC=C3)CO)C

InChI

InChI=1S/C21H31N3O/c1-4-24-18(3)20(17(2)22-24)14-23-12-8-11-21(15-23,16-25)13-19-9-6-5-7-10-19/h5-7,9-10,25H,4,8,11-16H2,1-3H3/p+1/t21-/m0/s1