2-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate; piperidin-1-ium

Systemtic Name: 2-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate; piperidin-1-ium Openeye Name: 2-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate; piperidin-1-ium CAS Name: 2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoate; piperidin-1-ium IUPAC Name: 2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate; piperidin-1-ium Traditional Name: 2-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]benzoate; piperidin-1-ium Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)[O-])O.C1CC[NH2+]CC1

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)[O-])O.C1CC[NH2+]CC1

InChI

InChI=1S/C17H15NO5.C5H11N/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22;1-2-4-6-5-3-1/h2-10,19H,1H3,(H,18,20)(H,21,22);6H,1-5H2/b9-7+;