4-[(E)-3-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-1-enyl]benzoate Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)[O-])C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)[O-])C[NH+]3CCCCC3

InChI

InChI=1S/C23H25NO4/c1-28-22-12-10-19(15-20(22)16-24-13-3-2-4-14-24)21(25)11-7-17-5-8-18(9-6-17)23(26)27/h5-12,15H,2-4,13-14,16H2,1H3,(H,26,27)/b11-7+