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

Systemtic Name: 5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)oxazole-4-carbonitrile CAS Name: 5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(4-propoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)oxazole-4-carbonitrile Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H26N4O2/c1-2-16-29-21-10-8-20(9-11-21)23-26-22(17-25)24(30-23)28-14-12-27(13-15-28)18-19-6-4-3-5-7-19/h3-11H,2,12-16,18H2,1H3/p+1