2-(3-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(3-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(3-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(3-methoxyphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(3-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(3-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C20H24N4OS+2 MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N4OS/c1-25-18-6-4-5-16(13-18)20-22-17(15-26-20)14-23-9-11-24(12-10-23)19-7-2-3-8-21-19/h2-8,13,15H,9-12,14H2,1H3/p+2