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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CSC=C2)C[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CSC=C2)C[NH+]3CCCC3

InChI

InChI=1S/C19H21NO2S/c1-22-19-7-5-16(12-17(19)13-20-9-2-3-10-20)18(21)6-4-15-8-11-23-14-15/h4-8,11-12,14H,2-3,9-10,13H2,1H3/p+1/b6-4+