[(3S)-3-(3-phenylpropyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-3-(3-phenylpropyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-(3-phenylpropyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-(3-phenylpropyl)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-(3-phenylpropyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-(3-phenylpropyl)piperidin-1-ium-3-yl]methanol Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCC(C2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC[C@](C2)(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C22H33N3O/c1-19(2)25-16-21(14-23-25)15-24-13-7-12-22(17-24,18-26)11-6-10-20-8-4-3-5-9-20/h3-5,8-9,14,16,19,26H,6-7,10-13,15,17-18H2,1-2H3/p+1/t22-/m0/s1