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

Systemtic Name: 2-(3-methylphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(m-tolyl)oxazole-4-carbonitrile CAS Name: 2-(3-methylphenyl)-5-[3-(4-morpholin-4-iumyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(3-methylphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(m-tolyl)oxazole-4-carbonitrile Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C18H22N4O2/c1-14-4-2-5-15(12-14)17-21-16(13-19)18(24-17)20-6-3-7-22-8-10-23-11-9-22/h2,4-5,12,20H,3,6-11H2,1H3/p+1