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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4S/c1-18-7-11-28(12-8-18)33(29,30)20-5-3-19(4-6-20)22-26-21(17-24)23(32-22)25-9-2-10-27-13-15-31-16-14-27/h3-6,18,25H,2,7-16H2,1H3/p+1