2-[(3-methylphenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(3-methylphenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(3-methylphenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-[(3-methylphenoxy)methyl]-5-[3-(4-morpholin-4-iumyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[(3-methylphenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(3-methylphenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C19H24N4O3/c1-15-4-2-5-16(12-15)25-14-18-22-17(13-20)19(26-18)21-6-3-7-23-8-10-24-11-9-23/h2,4-5,12,21H,3,6-11,14H2,1H3/p+1