6-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

Systemtic Name: 6-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]indan-5-ol CAS Name: 6-[[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[[4-(2-thenyl)piperazine-1,4-diium-1-yl]methyl]indan-5-ol Formula: C19H26N2OS+2 MolecularWeight: 330.48754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C19H24N2OS/c22-19-12-16-4-1-3-15(16)11-17(19)13-20-6-8-21(9-7-20)14-18-5-2-10-23-18/h2,5,10-12,22H,1,3-4,6-9,13-14H2/p+2