4-[(2S)-2-[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]propyl]-2-methoxy-phenol

Systemtic Name: 4-[(2S)-2-[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]propyl]-2-methoxy-phenol Openeye Name: 4-[(2S)-2-[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]propyl]-2-methoxy-phenol CAS Name: 4-[(2S)-2-[4-(hydroxymethyl)-4-(2-phenoxyethyl)-1-piperidin-1-iumyl]propyl]-2-methoxyphenol IUPAC Name: 4-[(2S)-2-[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]propyl]-2-methoxyphenol Traditional Name: 2-methoxy-4-[(2S)-2-[4-methylol-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]propyl]phenol Formula: C24H34NO4+ MolecularWeight: 400.53106

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)OC)[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)O)OC)[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C24H33NO4/c1-19(16-20-8-9-22(27)23(17-20)28-2)25-13-10-24(18-26,11-14-25)12-15-29-21-6-4-3-5-7-21/h3-9,17,19,26-27H,10-16,18H2,1-2H3/p+1/t19-/m0/s1