(2R)-2-(3-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2R)-2-(3-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2R)-2-(3-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2R)-2-(3-methylphenoxy)-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2R)-2-(3-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2R)-2-(3-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H22N2O2/c1-12-5-4-6-14(11-12)19-13(2)15(18)17-9-7-16(3)8-10-17/h4-6,11,13H,7-10H2,1-3H3/p+1/t13-/m1/s1