[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C21H31N3O/c1-18-20(15-22-23(18)2)16-24-13-11-21(17-25,12-14-24)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,15,25H,6,9-14,16-17H2,1-2H3/p+1