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

Systemtic Name: 5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(2-thienyl)oxazole-4-carbonitrile CAS Name: 5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-thiophen-2-yl-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(2-thienyl)oxazole-4-carbonitrile Formula: C19H19N4OS+ MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CS4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CS4)C#N

InChI

InChI=1S/C19H18N4OS/c20-13-16-19(24-18(21-16)17-7-4-12-25-17)23-10-8-22(9-11-23)14-15-5-2-1-3-6-15/h1-7,12H,8-11,14H2/p+1