2-(3,4-dimethoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[3-(4-morpholin-4-iumyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile Formula: C19H25N4O4+ MolecularWeight: 373.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N)OC

InChI

InChI=1S/C19H24N4O4/c1-24-16-5-4-14(12-17(16)25-2)18-22-15(13-20)19(27-18)21-6-3-7-23-8-10-26-11-9-23/h4-5,12,21H,3,6-11H2,1-2H3/p+1