1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-[4-(2-furoyl)piperazin-1-ium-1-yl]ethanone Formula: C23H31N4O3+ MolecularWeight: 411.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C

InChI

InChI=1S/C23H30N4O3/c1-18-5-3-6-20(19(18)2)25-12-14-26(15-13-25)22(28)17-24-8-10-27(11-9-24)23(29)21-7-4-16-30-21/h3-7,16H,8-15,17H2,1-2H3/p+1