2-(4-methanoylpiperazin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-(4-methanoylpiperazin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-(4-formylpiperazin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-(4-formyl-1-piperazin-1-iumyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-(4-formylpiperazin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-(4-formylpiperazin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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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[NH+]4CCN(CC4)C=O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-15-2-7-18-19(12-15)28-21(23-18)16-3-5-17(6-4-16)22-20(27)13-24-8-10-25(14-26)11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,22,27)/p+1