(2S)-1-(4-phenethylpiperazin-4-ium-1-yl)-2-phenoxy-propan-1-one

Systemtic Name: (2S)-1-(4-phenethylpiperazin-4-ium-1-yl)-2-phenoxy-propan-1-one Openeye Name: (2S)-1-(4-phenethylpiperazin-4-ium-1-yl)-2-phenoxy-propan-1-one CAS Name: (2S)-1-(4-phenethyl-1-piperazin-4-iumyl)-2-phenoxy-1-propanone IUPAC Name: (2S)-1-(4-phenethylpiperazin-4-ium-1-yl)-2-phenoxypropan-1-one Traditional Name: (2S)-1-(4-phenethylpiperazin-4-ium-1-yl)-2-phenoxy-propan-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-18(25-20-10-6-3-7-11-20)21(24)23-16-14-22(15-17-23)13-12-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3/p+1/t18-/m0/s1