1H-indol-2-yl-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 1H-indol-2-yl-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1H-indol-2-yl-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 1H-indol-2-yl-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1H-indol-2-yl-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 1H-indol-2-yl-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C18H20N3OS+ MolecularWeight: 326.4359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C18H19N3OS/c22-18(17-12-14-4-1-2-6-16(14)19-17)21-9-7-20(8-10-21)13-15-5-3-11-23-15/h1-6,11-12,19H,7-10,13H2/p+1