N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-methyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-methyl-ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-acetamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H24N4O2S/c1-13(18-19-15-6-4-5-7-16(15)25-18)20(3)17(24)12-21-8-10-22(11-9-21)14(2)23/h4-7,13H,8-12H2,1-3H3/p+1/t13-/m1/s1