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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C23H24N4O3/c1-28-20-9-8-18(14-21(20)29-2)22-25-19(15-24)23(30-22)27-12-10-26(11-13-27)16-17-6-4-3-5-7-17/h3-9,14H,10-13,16H2,1-2H3/p+1