3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium Openeye Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium Traditional Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-(2-keto-2-mesidino-ethyl)-methyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)S(=O)(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)S(=O)(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C21H27N3O3S/c1-15-11-16(2)21(17(3)12-15)22-20(25)14-23(4)28(26,27)24-10-9-18-7-5-6-8-19(18)13-24/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,22,25)/p+1