(2S)-2-(2-methylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2S)-2-(2-methylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methylphenoxy)propan-1-one CAS Name: (2S)-2-(2-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methylphenoxy)propan-1-one Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methylphenoxy)propan-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1O[C@@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-17-8-6-7-11-20(17)25-18(2)21(24)23-14-12-22(13-15-23)16-19-9-4-3-5-10-19/h3-11,18H,12-16H2,1-2H3/p+1/t18-/m0/s1