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

Systemtic Name: 2-(2-methoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(2-methoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-(2-methoxyphenyl)-5-[3-(4-morpholin-4-iumyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(2-methoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(2-methoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C18H22N4O3/c1-23-16-6-3-2-5-14(16)17-21-15(13-19)18(25-17)20-7-4-8-22-9-11-24-12-10-22/h2-3,5-6,20H,4,7-12H2,1H3/p+1