5-methyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: 5-methyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 5-methyl-N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]oxazole-4-carboxamide CAS Name: 5-methyl-N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 5-methyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-1,3-oxazole-4-carboxamide Traditional Name: 5-methyl-N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]oxazole-4-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4=C(OC=N4)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4=C(OC=N4)C

InChI

InChI=1S/C22H25N5O2/c1-16-6-3-4-8-19(16)26-10-12-27(13-11-26)21-18(7-5-9-23-21)14-24-22(28)20-17(2)29-15-25-20/h3-9,15H,10-14H2,1-2H3,(H,24,28)/p+1