(2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-(4-benzylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-(4-benzylpiperidin-1-ium-1-yl)propan-2-ol Formula: C25H34NO3+ MolecularWeight: 396.54236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OC[C@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C25H33NO3/c1-3-7-20-10-11-24(25(17-20)28-2)29-19-23(27)18-26-14-12-22(13-15-26)16-21-8-5-4-6-9-21/h3-6,8-11,17,22-23,27H,1,7,12-16,18-19H2,2H3/p+1/t23-/m0/s1