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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3,4-dimethoxyphenyl)-4-methyl-thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(3,4-dimethoxyphenyl)-4-methyl-5-thiazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(3,4-dimethoxyphenyl)-4-methyl-thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-15-20(30-21(24-15)16-7-8-17(28-2)18(14-16)29-3)22(27)26-12-10-25(11-13-26)19-6-4-5-9-23-19/h4-9,14H,10-13H2,1-3H3/p+1