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

Systemtic Name: [(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-benzyl-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-benzyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-benzyl-1-[(3-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)C[NH+]2CCCC(C2)(CC3=CC=CC=C3)CO

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O/c1-3-11-24-15-20(18(2)22-24)14-23-12-7-10-21(16-23,17-25)13-19-8-5-4-6-9-19/h4-6,8-9,15,25H,3,7,10-14,16-17H2,1-2H3/p+1/t21-/m0/s1