2-methoxy-4-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propyl]phenol

Systemtic Name: 2-methoxy-4-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propyl]phenol Openeye Name: 4-[(2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]propyl]-2-methoxy-phenol CAS Name: 2-methoxy-4-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]propyl]phenol IUPAC Name: 2-methoxy-4-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propyl]phenol Traditional Name: 4-[(2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]propyl]-2-methoxy-phenol Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)OC)[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)O)OC)[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-19(17-21-10-11-22(26)23(18-21)27-2)25-15-13-24(14-16-25)12-6-9-20-7-4-3-5-8-20/h3-11,18-19,26H,12-17H2,1-2H3/p+1/b9-6+/t19-/m0/s1