[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol CAS Name: [1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-4-(3-phenylpropyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Formula: C26H34N3O+ MolecularWeight: 404.56766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC(CC3)(CCCC4=CC=CC=C4)CO

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC(CC3)(CCCC4=CC=CC=C4)CO

InChI

InChI=1S/C26H33N3O/c1-28-19-24(25(27-28)23-12-6-3-7-13-23)20-29-17-15-26(21-30,16-18-29)14-8-11-22-9-4-2-5-10-22/h2-7,9-10,12-13,19,30H,8,11,14-18,20-21H2,1H3/p+1