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

Systemtic Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)methanone Openeye Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)methanone CAS Name: [4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-[2-(methylthio)-3-phenyl-4-imidazolyl]methanone IUPAC Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone Traditional Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-[2-(methylthio)-3-phenyl-imidazol-4-yl]methanone Formula: C24H29N4O3S+ MolecularWeight: 453.57706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3S/c1-30-20-8-10-21(11-9-20)31-17-16-26-12-14-27(15-13-26)23(29)22-18-25-24(32-2)28(22)19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3/p+1