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

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

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC[NH+]4CCOCC4)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC[NH+]4CCOCC4)C#N

InChI

InChI=1S/C22H29N5O4S/c1-17-3-2-9-27(16-17)32(28,29)19-6-4-18(5-7-19)21-25-20(15-23)22(31-21)24-8-10-26-11-13-30-14-12-26/h4-7,17,24H,2-3,8-14,16H2,1H3/p+1/t17-/m0/s1