3,3-diphenyl-1-(4-sulfonylpiperazin-4-ium-1-yl)prop-2-en-1-one; 1,2,3-trimethoxybenzene

Systemtic Name: 3,3-diphenyl-1-(4-sulfonylpiperazin-4-ium-1-yl)prop-2-en-1-one; 1,2,3-trimethoxybenzene Openeye Name: 3,3-diphenyl-1-(4-sulfonylpiperazin-4-ium-1-yl)prop-2-en-1-one; 1,2,3-trimethoxybenzene CAS Name: 3,3-diphenyl-1-(4-sulfonyl-1-piperazin-4-iumyl)-2-propen-1-one; 1,2,3-trimethoxybenzene IUPAC Name: 3,3-diphenyl-1-(4-sulfonylpiperazin-4-ium-1-yl)prop-2-en-1-one; 1,2,3-trimethoxybenzene Traditional Name: 3,3-diphenyl-1-(4-sulfonylpiperazin-4-ium-1-yl)prop-2-en-1-one; 1,2,3-trimethoxybenzene Formula: C28H31N2O6S+ MolecularWeight: 523.62054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OC.C1C[N+](=S(=O)=O)CCN1C(=O)C=C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC.C1C[N+](=S(=O)=O)CCN1C(=O)C=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H19N2O3S.C9H12O3/c22-19(20-11-13-21(14-12-20)25(23)24)15-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-10-7-5-4-6-8(11-2)9(7)12-3/h1-10,15H,11-14H2;4-6H,1-3H3/q+1;