(E)-3-(2-methoxyphenyl)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-methoxyphenyl)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-3-(2-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-26-22-8-4-3-7-17(22)9-11-20(24)18-10-12-21(25)19(15-18)16-23-13-5-2-6-14-23/h3-4,7-12,15,25H,2,5-6,13-14,16H2,1H3/p+1/b11-9+