(2R)-2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: (2R)-2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: (2R)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-phenoxy-butan-1-one CAS Name: (2R)-2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: (2R)-2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: (2R)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-phenoxy-butan-1-one Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2/c1-2-22(27-21-13-7-4-8-14-21)23(26)25-18-16-24(17-19-25)15-9-12-20-10-5-3-6-11-20/h3-14,22H,2,15-19H2,1H3/p+1/b12-9+/t22-/m1/s1