5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-morpholinosulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-[2-(4-morpholin-4-iumyl)ethylamino]-2-[4-(4-morpholinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-morpholinosulfonylphenyl)oxazole-4-carbonitrile Formula: C20H26N5O5S+ MolecularWeight: 448.51594

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C#N

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C#N

InChI

InChI=1S/C20H25N5O5S/c21-15-18-20(22-5-6-24-7-11-28-12-8-24)30-19(23-18)16-1-3-17(4-2-16)31(26,27)25-9-13-29-14-10-25/h1-4,22H,5-14H2/p+1