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

Systemtic Name: N-(2-methylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine Openeye Name: N-(o-tolyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiazol-2-amine CAS Name: N-(2-methylphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-thiazolamine IUPAC Name: N-(2-methylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine Traditional Name: o-tolyl-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]thiazol-2-yl]amine Formula: C20H24N5S+ MolecularWeight: 366.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=CS2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=CS2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5S/c1-16-6-2-3-7-18(16)23-20-22-17(15-26-20)14-24-10-12-25(13-11-24)19-8-4-5-9-21-19/h2-9,15H,10-14H2,1H3,(H,22,23)/p+1