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

Systemtic Name: [4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-methyl-2-(p-tolyl)thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-methyl-2-(4-methylphenyl)-5-thiazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-methyl-2-(p-tolyl)thiazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C21H22N4OS/c1-15-6-8-17(9-7-15)20-23-16(2)19(27-20)21(26)25-13-11-24(12-14-25)18-5-3-4-10-22-18/h3-10H,11-14H2,1-2H3/p+1