[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

Systemtic Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone Openeye Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(3-phenyl-2-thioxo-1H-imidazol-4-yl)methanone CAS Name: [4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone IUPAC Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone Traditional Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(3-phenyl-2-thioxo-4-imidazolin-4-yl)methanone Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-29-19-7-9-20(10-8-19)30-16-15-25-11-13-26(14-12-25)22(28)21-17-24-23(31)27(21)18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,24,31)/p+1