5-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-1-piperazin-4-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-4-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol Formula: C17H29N2O3+ MolecularWeight: 309.42376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC(=C(C=C2)OC)O

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=C(C=C2)OC)O

InChI

InChI=1S/C17H28N2O3/c1-13(2)19-8-7-18(12-15(19)6-9-20)11-14-4-5-17(22-3)16(21)10-14/h4-5,10,13,15,20-21H,6-9,11-12H2,1-3H3/p+1/t15-/m0/s1