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

Systemtic Name: 2-[[4-cyano-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-cyano-2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]oxazol-5-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-cyano-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-5-oxazolyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-cyano-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-cyano-2-[4-(4-methylpiperidino)sulfonylphenyl]oxazol-5-yl]amino]ethyl-dimethyl-ammonium Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3S/c1-15-8-11-25(12-9-15)29(26,27)17-6-4-16(5-7-17)19-23-18(14-21)20(28-19)22-10-13-24(2)3/h4-7,15,22H,8-13H2,1-3H3/p+1