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

Systemtic Name: 5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile CAS Name: 5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[(E)-2-thiophen-2-ylethenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile Formula: C21H21N4OS+ MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)C=CC4=CC=CS4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c22-15-19-21(26-20(23-19)9-8-18-7-4-14-27-18)25-12-10-24(11-13-25)16-17-5-2-1-3-6-17/h1-9,14H,10-13,16H2/p+1/b9-8+