2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]ethenyl-dimethyl-azanium

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]ethenyl-dimethyl-azanium Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-isoxazol-5-yl]vinyl-dimethyl-ammonium CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-5-isoxazolyl]ethenyl-dimethylammonium IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]ethenyl-dimethylazanium Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-isoxazol-5-yl]vinyl-dimethyl-ammonium Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1S(=O)(=O)N2CCC3=CC=CC=C3C2)C=C[NH+](C)C

Isomeric SMILES

CC1=NOC(=C1S(=O)(=O)N2CCC3=CC=CC=C3C2)C=C[NH+](C)C

InChI

InChI=1S/C17H21N3O3S/c1-13-17(16(23-18-13)9-10-19(2)3)24(21,22)20-11-8-14-6-4-5-7-15(14)12-20/h4-7,9-10H,8,11-12H2,1-3H3/p+1