3-[[4-cyano-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-cyano-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C24H28N5O3S+ MolecularWeight: 466.57582

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

C[NH+](C)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C24H27N5O3S/c1-28(2)14-5-13-26-24-22(16-25)27-23(32-24)19-8-10-21(11-9-19)33(30,31)29-15-12-18-6-3-4-7-20(18)17-29/h3-4,6-11,26H,5,12-15,17H2,1-2H3/p+1