3-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[(E)-3-(3,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[(E)-3-(3,5-dimethoxyphenyl)acryloyl]amino]propyl]-methyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C=CC1=CC(=CC(=C1)OC)OC)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=O)/C=C/C1=CC(=CC(=C1)OC)OC)CC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3/c1-24(17-18-8-5-4-6-9-18)13-7-12-23-22(25)11-10-19-14-20(26-2)16-21(15-19)27-3/h4-6,8-11,14-16H,7,12-13,17H2,1-3H3,(H,23,25)/p+1/b11-10+