1-(2-methyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]ethanone Formula: C20H25N3OS+2 MolecularWeight: 355.497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H23N3OS/c1-15-20(17-6-2-3-7-18(17)21-15)19(24)14-23-10-8-22(9-11-23)13-16-5-4-12-25-16/h2-7,12,21H,8-11,13-14H2,1H3/p+2