1-(2-methylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-methylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(o-tolyl)-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-(2-methylphenyl)-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(o-tolyl)-4-(3-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=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CSC=C3

InChI

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