(E)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(2-thienyl)prop-2-en-1-one Formula: C20H24NO2S+ MolecularWeight: 342.47506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=CS2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CS2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H23NO2S/c1-23-20-10-7-16(19(22)9-8-18-6-5-13-24-18)14-17(20)15-21-11-3-2-4-12-21/h5-10,13-14H,2-4,11-12,15H2,1H3/p+1/b9-8+