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

Systemtic Name: (2S)-2-(3-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)propan-1-one CAS Name: (2S)-2-(3-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2S)-2-(3-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: (2S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)propan-1-one Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2/c1-19-8-6-12-22(18-19)27-20(2)23(26)25-16-14-24(15-17-25)13-7-11-21-9-4-3-5-10-21/h3-12,18,20H,13-17H2,1-2H3/p+1/b11-7+/t20-/m0/s1