1-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)-1-piperazin-4-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]-2-naphthol Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=C(C=CC3=CC=CC=C32)O

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C21H30N2O2/c1-16(2)13-23-11-10-22(14-18(23)9-12-24)15-20-19-6-4-3-5-17(19)7-8-21(20)25/h3-8,16,18,24-25H,9-15H2,1-2H3/p+1/t18-/m0/s1