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

Systemtic Name: 2-[(4-ethoxyphenoxy)methyl]-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-ethoxyphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 2-[(4-ethoxyphenoxy)methyl]-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-ethoxyphenoxy)methyl]oxazole-4-carbonitrile Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H26N4O3/c1-2-29-20-8-10-21(11-9-20)30-18-23-26-22(16-25)24(31-23)28-14-12-27(13-15-28)17-19-6-4-3-5-7-19/h3-11H,2,12-15,17-18H2,1H3/p+1