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

Systemtic Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]propanamide CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]propanamide IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]propanamide Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]propionamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH+]4CCN(CC4)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH+]4CCN(CC4)C(=O)C

InChI

InChI=1S/C23H26N4O2S/c1-16(26-11-13-27(14-12-26)17(2)28)23(29)24-19-9-7-18(8-10-19)15-22-25-20-5-3-4-6-21(20)30-22/h3-10,16H,11-15H2,1-2H3,(H,24,29)/p+1/t16-/m1/s1