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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]-methyl-ammonium Formula: C20H26N4OS2+2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H24N4OS2/c1-22(14-19-21-17-6-2-3-7-18(17)27-19)15-20(25)24-10-8-23(9-11-24)13-16-5-4-12-26-16/h2-7,12H,8-11,13-15H2,1H3/p+2