3-[[4-cyano-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-cyano-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-2-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C21H30N5O3S+ MolecularWeight: 432.5596

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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+](C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3S/c1-16-6-4-13-26(15-16)30(27,28)18-9-7-17(8-10-18)20-24-19(14-22)21(29-20)23-11-5-12-25(2)3/h7-10,16,23H,4-6,11-13,15H2,1-3H3/p+1/t16-/m0/s1