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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylbutyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(1R)-1-phenylbutyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide Formula: C24H32N4OS+2 MolecularWeight: 424.60208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-2-8-20(19-9-4-3-5-10-19)25-23(29)17-27-13-15-28(16-14-27)18-24-26-21-11-6-7-12-22(21)30-24/h3-7,9-12,20H,2,8,13-18H2,1H3,(H,25,29)/p+2/t20-/m1/s1