[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-ethyl-5-methyl-thiophen-2-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-ethyl-5-methyl-thiophen-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-ethyl-5-methyl-2-thienyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(4-ethyl-5-methyl-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-ethyl-5-methyl-2-thienyl)methanone Formula: C20H24N3OS2+ MolecularWeight: 386.55406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H23N3OS2/c1-3-15-12-18(25-14(15)2)20(24)23-10-8-22(9-11-23)13-19-21-16-6-4-5-7-17(16)26-19/h4-7,12H,3,8-11,13H2,1-2H3/p+1