3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH2+]S(=O)(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)NC(=O)C[NH2+]S(=O)(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C14H21N3O3S/c1-11(2)16-14(18)9-15-21(19,20)17-8-7-12-5-3-4-6-13(12)10-17/h3-6,11,15H,7-10H2,1-2H3,(H,16,18)/p+1