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

Systemtic Name: 2-[(3-methylphenoxy)methyl]-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(3-methylphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 2-[(3-methylphenoxy)methyl]-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(3-methylphenoxy)methyl]oxazole-4-carbonitrile Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H24N4O2/c1-18-6-5-9-20(14-18)28-17-22-25-21(15-24)23(29-22)27-12-10-26(11-13-27)16-19-7-3-2-4-8-19/h2-9,14H,10-13,16-17H2,1H3/p+1