(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)[NH+]4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@H](C)[NH+]4CCN(CC4)C(=O)C

InChI

InChI=1S/C23H26N4O2S/c1-15-4-9-20-21(14-15)30-23(25-20)18-5-7-19(8-6-18)24-22(29)16(2)26-10-12-27(13-11-26)17(3)28/h4-9,14,16H,10-13H2,1-3H3,(H,24,29)/p+1/t16-/m0/s1