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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-3-27(4-2)24(29)23(19-10-6-5-7-11-19)28-16-14-26(15-17-28)18-22-25-20-12-8-9-13-21(20)30-22/h5-13,23H,3-4,14-18H2,1-2H3/p+2/t23-/m1/s1