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

Systemtic Name: [1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol CAS Name: [1-[(1,5-dimethyl-4-pyrazolyl)methyl]-4-phenethyl-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenethylpiperidin-1-ium-4-yl]methanol Traditional Name: [1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCC(CC2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCC(CC2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C20H29N3O/c1-17-19(14-21-22(17)2)15-23-12-10-20(16-24,11-13-23)9-8-18-6-4-3-5-7-18/h3-7,14,24H,8-13,15-16H2,1-2H3/p+1