4-[(E)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enoyl]phenolate

Systemtic Name: 4-[(E)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enoyl]phenolate Openeye Name: 4-[(E)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enoyl]phenolate CAS Name: 4-[(E)-3-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-1-oxoprop-2-enyl]phenolate IUPAC Name: 4-[(E)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enoyl]phenolate Traditional Name: 4-[(E)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]acryloyl]phenolate Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)[O-])C[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[O-])C[NH+]3CCOCC3

InChI

InChI=1S/C21H23NO4/c1-25-21-9-3-16(14-18(21)15-22-10-12-26-13-11-22)2-8-20(24)17-4-6-19(23)7-5-17/h2-9,14,23H,10-13,15H2,1H3/b8-2+