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

Systemtic Name: 2-[(2S)-1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[[4-(o-tolyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[4-(o-tolyl)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)CN3CC[NH+](C(C3)CCO)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)CN3CC[NH+]([C@H](C3)CCO)C

InChI

InChI=1S/C21H28N2O/c1-17-5-3-4-6-21(17)19-9-7-18(8-10-19)15-23-13-12-22(2)20(16-23)11-14-24/h3-10,20,24H,11-16H2,1-2H3/p+1/t20-/m0/s1