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

Systemtic Name: (2R)-2-(4-methylphenoxy)-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-(4-methylphenoxy)butan-1-one CAS Name: (2R)-2-(4-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: (2R)-2-(4-methylphenoxy)-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-(4-methylphenoxy)butan-1-one Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O2/c1-3-23(28-22-13-11-20(2)12-14-22)24(27)26-18-16-25(17-19-26)15-7-10-21-8-5-4-6-9-21/h4-14,23H,3,15-19H2,1-2H3/p+1/b10-7+/t23-/m1/s1