5-(4-methylpiperazin-4-ium-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(1-naphthylmethyl)oxazole-4-carbonitrile CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-(1-naphthalenylmethyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(1-naphthylmethyl)oxazole-4-carbonitrile Formula: C20H21N4O+ MolecularWeight: 333.40694

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C20H20N4O/c1-23-9-11-24(12-10-23)20-18(14-21)22-19(25-20)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-13H2,1H3/p+1