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

Systemtic Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-[2-(4-morpholin-4-iumyl)ethylamino]-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C21H28N5O4S+ MolecularWeight: 446.54312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC[NH+]4CCOCC4)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC[NH+]4CCOCC4)C#N

InChI

InChI=1S/C21H27N5O4S/c22-16-19-21(23-8-11-25-12-14-29-15-13-25)30-20(24-19)17-4-6-18(7-5-17)31(27,28)26-9-2-1-3-10-26/h4-7,23H,1-3,8-15H2/p+1