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

Systemtic Name: 2-(naphthalen-1-ylmethyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(1-naphthylmethyl)oxazole-4-carbonitrile CAS Name: 2-(1-naphthalenylmethyl)-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(1-naphthylmethyl)oxazole-4-carbonitrile Formula: C26H25N4O+ MolecularWeight: 409.5029

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)CC4=CC=CC5=CC=CC=C54)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)CC4=CC=CC5=CC=CC=C54)C#N

InChI

InChI=1S/C26H24N4O/c27-18-24-26(30-15-13-29(14-16-30)19-20-7-2-1-3-8-20)31-25(28-24)17-22-11-6-10-21-9-4-5-12-23(21)22/h1-12H,13-17,19H2/p+1