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

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

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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+](C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3S/c1-16-9-13-26(14-10-16)30(27,28)18-7-5-17(6-8-18)20-24-19(15-22)21(29-20)23-11-4-12-25(2)3/h5-8,16,23H,4,9-14H2,1-3H3/p+1