1-(2-methylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-methylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(o-tolyl)-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(2-methylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(o-tolyl)-4-(2-thenyl)piperazin-4-ium Formula: C16H21N2S+ MolecularWeight: 273.41634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C16H20N2S/c1-14-5-2-3-7-16(14)18-10-8-17(9-11-18)13-15-6-4-12-19-15/h2-7,12H,8-11,13H2,1H3/p+1