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

Systemtic Name: 2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-oxazole-4-carbonitrile CAS Name: 2-methyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-oxazole-4-carbonitrile Formula: C16H19N4O+ MolecularWeight: 283.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)N2CC[NH+](CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=NC(=C(O1)N2CC[NH+](CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C16H18N4O/c1-13-18-15(11-17)16(21-13)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3/p+1