2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-m-anisyl-piperazin-1-ium-2-yl]ethanol Formula: C18H31N2O2+ MolecularWeight: 307.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-15(2)12-20-9-8-19(14-17(20)7-10-21)13-16-5-4-6-18(11-16)22-3/h4-6,11,15,17,21H,7-10,12-14H2,1-3H3/p+1/t17-/m0/s1