3-(benzimidazol-1-yl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(benzimidazol-1-yl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(benzimidazol-1-yl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1-benzimidazolyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(benzimidazol-1-yl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(benzimidazol-1-yl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C=NC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C=NC5=CC=CC=C54

InChI

InChI=1S/C22H23N5OS/c28-22(9-10-27-16-23-17-5-1-3-7-19(17)27)26-13-11-25(12-14-26)15-21-24-18-6-2-4-8-20(18)29-21/h1-8,16H,9-15H2/p+1