[(3R)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-3-benzyl-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-3-benzyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-3-benzyl-1-[(5-methyl-1-propyl-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:

CCCN1C(=C(C=N1)C[NH+]2CCCC(C2)(CC3=CC=CC=C3)CO)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC[C@](C2)(CC3=CC=CC=C3)CO)C

InChI

InChI=1S/C21H31N3O/c1-3-11-24-18(2)20(14-22-24)15-23-12-7-10-21(16-23,17-25)13-19-8-5-4-6-9-19/h4-6,8-9,14,25H,3,7,10-13,15-17H2,1-2H3/p+1/t21-/m1/s1