2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-5-[2-(4-morpholin-4-iumyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(4-methylpiperidino)sulfonylphenyl]-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC[NH+]4CCOCC4)C#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC[NH+]4CCOCC4)C#N

InChI

InChI=1S/C22H29N5O4S/c1-17-6-9-27(10-7-17)32(28,29)19-4-2-18(3-5-19)21-25-20(16-23)22(31-21)24-8-11-26-12-14-30-15-13-26/h2-5,17,24H,6-15H2,1H3/p+1