[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-methyl-2-(3,4,5-trimethoxyphenyl)thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-methyl-2-(3,4,5-trimethoxyphenyl)-5-thiazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-methyl-2-(3,4,5-trimethoxyphenyl)thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N4O4S/c1-15-21(23(28)27-11-9-26(10-12-27)19-7-5-6-8-24-19)32-22(25-15)16-13-17(29-2)20(31-4)18(14-16)30-3/h5-8,13-14H,9-12H2,1-4H3/p+1