N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-27-17-7-8-18-19(13-17)28-21(22-18)23-20(26)15-25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,23,26)/p+1