N-(4-methylphenyl)-2-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(p-tolyl)-2-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide CAS Name: N-(4-methylphenyl)-2-[4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-(p-tolyl)-2-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide Formula: C22H27N5OS+2 MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H25N5OS/c1-17-5-7-18(8-6-17)24-21(28)14-22-25-19(16-29-22)15-26-10-12-27(13-11-26)20-4-2-3-9-23-20/h2-9,16H,10-15H2,1H3,(H,24,28)/p+2