(2-methyl-5-methylsulfonyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methyl-5-methylsulfonyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methyl-5-methylsulfonyl-phenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-methyl-5-methylsulfonylphenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methyl-5-methylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-mesyl-2-methyl-phenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C18H23N2O3S2+ MolecularWeight: 379.51682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C18H22N2O3S2/c1-14-3-4-16(25(2,22)23)11-17(14)18(21)20-8-6-19(7-9-20)12-15-5-10-24-13-15/h3-5,10-11,13H,6-9,12H2,1-2H3/p+1