[4-(furan-2-ylcarbonyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-2-thiomorpholin-4-yl-pyridin-1-ium-3-yl]methanone

Systemtic Name: [4-(furan-2-ylcarbonyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-2-thiomorpholin-4-yl-pyridin-1-ium-3-yl]methanone Openeye Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-2-thiomorpholino-pyridin-1-ium-3-yl]methanone CAS Name: [4-[2-furanyl(oxo)methyl]-1-piperazinyl]-[6-(4-methoxyphenyl)-2-thiomorpholin-4-yl-3-pyridin-1-iumyl]methanone IUPAC Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-2-thiomorpholin-4-ylpyridin-1-ium-3-yl]methanone Traditional Name: [4-(2-furoyl)piperazino]-[6-(4-methoxyphenyl)-2-thiomorpholino-pyridin-1-ium-3-yl]methanone Formula: C26H29N4O4S+ MolecularWeight: 493.59786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)N5CCSCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)N5CCSCC5

InChI

InChI=1S/C26H28N4O4S/c1-33-20-6-4-19(5-7-20)22-9-8-21(24(27-22)28-14-17-35-18-15-28)25(31)29-10-12-30(13-11-29)26(32)23-3-2-16-34-23/h2-9,16H,10-15,17-18H2,1H3/p+1