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

Systemtic Name: 2-[(3-chloranylphenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(3-chlorophenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-[(3-chlorophenoxy)methyl]-5-[3-(4-morpholin-4-iumyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[(3-chlorophenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(3-chlorophenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile Formula: C18H22ClN4O3+ MolecularWeight: 377.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(N=C(O2)COC3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(N=C(O2)COC3=CC(=CC=C3)Cl)C#N

InChI

InChI=1S/C18H21ClN4O3/c19-14-3-1-4-15(11-14)25-13-17-22-16(12-20)18(26-17)21-5-2-6-23-7-9-24-10-8-23/h1,3-4,11,21H,2,5-10,13H2/p+1