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

Systemtic Name: 2-(furan-2-yl)-5-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(2-furyl)-5-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]oxazole-4-carbonitrile CAS Name: 2-(2-furanyl)-5-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 2-(furan-2-yl)-5-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(2-furyl)-5-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]oxazole-4-carbonitrile Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C21H22N4O2/c22-16-18-21(27-20(23-18)19-9-5-15-26-19)25-13-11-24(12-14-25)10-4-8-17-6-2-1-3-7-17/h1-3,5-7,9,15H,4,8,10-14H2/p+1