2-morpholin-4-ium-4-ylethyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: 2-morpholin-4-ium-4-ylethyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)-2-propenoic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)acrylic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C23H25N2O6+ MolecularWeight: 425.4544

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCOC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O6/c26-22(18-4-2-1-3-5-18)24-19(14-17-6-7-20-21(15-17)31-16-30-20)23(27)29-13-10-25-8-11-28-12-9-25/h1-7,14-15H,8-13,16H2,(H,24,26)/p+1/b19-14+