[(2R)-2-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxypropyl]-dimethyl-azanium

Systemtic Name: [(2R)-2-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxypropyl]-dimethyl-azanium Openeye Name: [(2R)-2-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxypropyl]-dimethyl-ammonium CAS Name: [(2R)-2-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]propyl]-dimethylammonium IUPAC Name: [(2R)-2-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxypropyl]-dimethylazanium Traditional Name: [(2R)-2-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]oxypropyl]-dimethyl-ammonium Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](C)C)OC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C[NH+](C)C)OC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5/c1-15(13-24(2)3)29-22(26)18(23-21(25)17-7-5-4-6-8-17)11-16-9-10-19-20(12-16)28-14-27-19/h4-12,15H,13-14H2,1-3H3,(H,23,25)/p+1/b18-11+/t15-/m1/s1