4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butylazanium

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butylazanium Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butylammonium CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butylammonium IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butylazanium Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butylammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCC[NH3+]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCC[NH3+]

InChI

InChI=1S/C13H20N2O2S/c14-8-3-4-10-18(16,17)15-9-7-12-5-1-2-6-13(12)11-15/h1-2,5-6H,3-4,7-11,14H2/p+1