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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-27-16-5-3-4-15(12-16)25-10-8-24(9-11-25)14-20(26)23-21-22-18-7-6-17(28-2)13-19(18)29-21/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,23,26)/p+1