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

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenyl-propionamide Formula: C21H26N4OS+2 MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-16(21(26)22-17-7-3-2-4-8-17)25-13-11-24(12-14-25)15-20-23-18-9-5-6-10-19(18)27-20/h2-10,16H,11-15H2,1H3,(H,22,26)/p+2/t16-/m1/s1