[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,2-oxazol-5-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,2-oxazol-5-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isoxazol-5-yl]methyl]-methyl-ammonium CAS Name: [3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-5-isoxazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2-oxazol-5-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isoxazol-5-yl]methyl]-methyl-ammonium Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3O2/c1-24(14-17-7-3-2-4-8-17)16-20-13-21(23-27-20)22(26)25-12-11-18-9-5-6-10-19(18)15-25/h2-10,13H,11-12,14-16H2,1H3/p+1