(E)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-3-(2-thienyl)prop-2-en-1-one Formula: C20H25N2O3S+ MolecularWeight: 373.4891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H24N2O3S/c1-24-17-5-7-19(25-2)16(14-17)15-21-9-11-22(12-10-21)20(23)8-6-18-4-3-13-26-18/h3-8,13-14H,9-12,15H2,1-2H3/p+1/b8-6+