N-(3-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H27N5O2S+2 MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N5O2S/c1-16(28)23-17-5-4-6-18(13-17)24-21(29)14-26-9-11-27(12-10-26)15-22-25-19-7-2-3-8-20(19)30-22/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)(H,24,29)/p+2