1-(2-methylphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-methylphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(3-methyl-2-thienyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-(2-methylphenyl)-4-[(3-methyl-2-thiophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(3-methyl-2-thienyl)methyl]-4-(o-tolyl)piperazin-1-ium Formula: C17H23N2S+ MolecularWeight: 287.44292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C17H22N2S/c1-14-5-3-4-6-16(14)19-10-8-18(9-11-19)13-17-15(2)7-12-20-17/h3-7,12H,8-11,13H2,1-2H3/p+1