(2S)-1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: (2S)-1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-propan-1-one Openeye Name: (2S)-2-phenoxy-1-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: (2S)-1-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-phenoxy-1-propanone IUPAC Name: (2S)-1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxypropan-1-one Traditional Name: (2S)-1-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]-2-phenoxy-propan-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)[C@H](C)OC3=CC=CC=C3

InChI

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