2-(3-methylphenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(3-methylphenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(m-tolyl)oxazole-4-carbonitrile CAS Name: 2-(3-methylphenyl)-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-(3-methylphenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(m-tolyl)oxazole-4-carbonitrile Formula: C16H19N4O+ MolecularWeight: 283.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(O2)N3CC[NH+](CC3)C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(O2)N3CC[NH+](CC3)C)C#N

InChI

InChI=1S/C16H18N4O/c1-12-4-3-5-13(10-12)15-18-14(11-17)16(21-15)20-8-6-19(2)7-9-20/h3-5,10H,6-9H2,1-2H3/p+1