(2R)-2-(3,5-dimethylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(3,5-dimethylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(3,5-dimethylphenoxy)propan-1-one CAS Name: (2R)-2-(3,5-dimethylphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(3,5-dimethylphenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(3,5-dimethylphenoxy)propan-1-one Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)O[C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O2/c1-17-13-18(2)15-21(14-17)26-19(3)22(25)24-11-9-23(10-12-24)16-20-7-5-4-6-8-20/h4-8,13-15,19H,9-12,16H2,1-3H3/p+1/t19-/m1/s1