2-[(2S)-4-[[4-(2-hydroxyethyloxy)phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[4-(2-hydroxyethyloxy)phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[4-(2-hydroxyethoxy)benzyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C18H31N2O3+ MolecularWeight: 323.45034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O3/c1-15(2)20-9-8-19(14-17(20)7-10-21)13-16-3-5-18(6-4-16)23-12-11-22/h3-6,15,17,21-22H,7-14H2,1-2H3/p+1/t17-/m0/s1