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

Systemtic Name: 5-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-1-piperazin-4-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-4-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol Formula: C17H28ClN2O3+ MolecularWeight: 343.86882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC(=C(C=C2Cl)O)OC

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=C(C=C2Cl)O)OC

InChI

InChI=1S/C17H27ClN2O3/c1-12(2)20-6-5-19(11-14(20)4-7-21)10-13-8-17(23-3)16(22)9-15(13)18/h8-9,12,14,21-22H,4-7,10-11H2,1-3H3/p+1/t14-/m0/s1