1-(2,3-dimethylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(2-thenyl)piperazin-4-ium Formula: C17H23N2S+ MolecularWeight: 287.44292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CS3)C

InChI

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