[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [4-benzyl-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]-4-(phenylmethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [4-benzyl-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-benzyl-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]piperidin-1-ium-4-yl]methanol Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO)CN4C=CC=N4

InChI

InChI=1S/C25H31N3O2/c1-30-24-9-8-22(16-23(24)19-28-13-5-12-26-28)18-27-14-10-25(20-29,11-15-27)17-21-6-3-2-4-7-21/h2-9,12-13,16,29H,10-11,14-15,17-20H2,1H3/p+1