(E)-3-(5-methylthiophen-2-yl)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-methylthiophen-2-yl)-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-(5-methyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-3-(5-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(5-methyl-2-thienyl)prop-2-en-1-one Formula: C20H24NO2S+ MolecularWeight: 342.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H23NO2S/c1-15-5-7-18(24-15)8-10-19(22)16-6-9-20(23)17(13-16)14-21-11-3-2-4-12-21/h5-10,13,23H,2-4,11-12,14H2,1H3/p+1/b10-8+