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

Systemtic Name: 2-naphthalen-1-yl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(1-naphthyl)oxazole-4-carbonitrile CAS Name: 2-(1-naphthalenyl)-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(1-naphthyl)oxazole-4-carbonitrile Formula: C25H23N4O+ MolecularWeight: 395.47632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CC5=CC=CC=C54)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CC5=CC=CC=C54)C#N

InChI

InChI=1S/C25H22N4O/c26-17-23-25(29-15-13-28(14-16-29)18-19-7-2-1-3-8-19)30-24(27-23)22-12-6-10-20-9-4-5-11-21(20)22/h1-12H,13-16,18H2/p+1