(2R)-4-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-2-ol

Systemtic Name: (2R)-4-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-2-ol Openeye Name: (2R)-4-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-2-ol CAS Name: (2R)-4-(3,4-dimethylphenoxy)-1-(4-methyl-1-piperazin-4-iumyl)-2-butanol IUPAC Name: (2R)-4-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-2-ol Traditional Name: (2R)-4-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-2-ol Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC(CN2CC[NH+](CC2)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC[C@H](CN2CC[NH+](CC2)C)O)C

InChI

InChI=1S/C17H28N2O2/c1-14-4-5-17(12-15(14)2)21-11-6-16(20)13-19-9-7-18(3)8-10-19/h4-5,12,16,20H,6-11,13H2,1-3H3/p+1/t16-/m1/s1