2-[(3-methylphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(3-methylphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(3-methylphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(3-methylphenoxy)methyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(3-methylphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(3-methylphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NC(=C(O2)N3CC[NH+](CC3)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NC(=C(O2)N3CC[NH+](CC3)C)C#N

InChI

InChI=1S/C17H20N4O2/c1-13-4-3-5-14(10-13)22-12-16-19-15(11-18)17(23-16)21-8-6-20(2)7-9-21/h3-5,10H,6-9,12H2,1-2H3/p+1