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

Systemtic Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-5-[3-(4-morpholin-4-iumyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4S/c1-18-4-2-11-28(17-18)33(29,30)20-7-5-19(6-8-20)22-26-21(16-24)23(32-22)25-9-3-10-27-12-14-31-15-13-27/h5-8,18,25H,2-4,9-15,17H2,1H3/p+1/t18-/m0/s1