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

Systemtic Name: 2-[(2-methoxyphenoxy)methyl]-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(2-methoxyphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 2-[(2-methoxyphenoxy)methyl]-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(2-methoxyphenoxy)methyl]oxazole-4-carbonitrile Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1OCC2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H24N4O3/c1-28-20-9-5-6-10-21(20)29-17-22-25-19(15-24)23(30-22)27-13-11-26(12-14-27)16-18-7-3-2-4-8-18/h2-10H,11-14,16-17H2,1H3/p+1