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

Systemtic Name: (E)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(2-thienyl)prop-2-en-1-one Formula: C19H22NO2S+ MolecularWeight: 328.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC(=C2)C(=O)C=CC3=CC=CS3)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC(=C2)C(=O)/C=C/C3=CC=CS3)O

InChI

InChI=1S/C19H21NO2S/c21-18(9-7-17-5-4-12-23-17)15-6-8-19(22)16(13-15)14-20-10-2-1-3-11-20/h4-9,12-13,22H,1-3,10-11,14H2/p+1/b9-7+