[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [4-benzyl-1-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-(phenylmethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [4-benzyl-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-benzyl-1-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperidin-1-ium-4-yl]methanol Formula: C24H34NO2+ MolecularWeight: 368.53226

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO

InChI

InChI=1S/C24H33NO2/c1-20(8-9-21-10-12-23(27-2)13-11-21)25-16-14-24(19-26,15-17-25)18-22-6-4-3-5-7-22/h3-7,10-13,20,26H,8-9,14-19H2,1-2H3/p+1/t20-/m0/s1