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

Systemtic Name: (2S)-1-(3-methyl-4-propan-2-yl-phenoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol CAS Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol Formula: C25H36NO2+ MolecularWeight: 382.55884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+]2CCC(CC2)CC3=CC=CC=C3)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O)C(C)C

InChI

InChI=1S/C25H35NO2/c1-19(2)25-10-9-24(15-20(25)3)28-18-23(27)17-26-13-11-22(12-14-26)16-21-7-5-4-6-8-21/h4-10,15,19,22-23,27H,11-14,16-18H2,1-3H3/p+1/t23-/m0/s1