3-(4-methoxyphenyl)-2-[4-(phenylmethyl)morpholin-4-ium-4-yl]propanenitrile

Systemtic Name: 3-(4-methoxyphenyl)-2-[4-(phenylmethyl)morpholin-4-ium-4-yl]propanenitrile Openeye Name: 2-(4-benzylmorpholin-4-ium-4-yl)-3-(4-methoxyphenyl)propanenitrile CAS Name: 3-(4-methoxyphenyl)-2-[4-(phenylmethyl)-4-morpholin-4-iumyl]propanenitrile IUPAC Name: 2-(4-benzylmorpholin-4-ium-4-yl)-3-(4-methoxyphenyl)propanenitrile Traditional Name: 2-(4-benzylmorpholin-4-ium-4-yl)-3-(4-methoxyphenyl)propionitrile Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C#N)[N+]2(CCOCC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC(C#N)[N+]2(CCOCC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N2O2/c1-24-21-9-7-18(8-10-21)15-20(16-22)23(11-13-25-14-12-23)17-19-5-3-2-4-6-19/h2-10,20H,11-15,17H2,1H3/q+1