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

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C27H29N4O2S+ MolecularWeight: 473.60976

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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)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H28N4O2S/c1-19-3-12-24-25(17-19)34-27(29-24)20-4-6-21(7-5-20)28-26(32)18-30-13-15-31(16-14-30)22-8-10-23(33-2)11-9-22/h3-12,17H,13-16,18H2,1-2H3,(H,28,32)/p+1