(2R)-2-phenoxy-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: (2R)-2-phenoxy-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-phenoxy-butan-1-one CAS Name: (2R)-2-phenoxy-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-phenoxybutan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-phenoxy-butan-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-2-20(25-19-11-7-4-8-12-19)21(24)23-15-13-22(14-16-23)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3/p+1/t20-/m1/s1