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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: 3,4-dihydro-1H-isoquinolin-2-ylsulfonyl-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H23N3O3S2/c1-2-20(14-18(22)19-12-17-8-5-11-25-17)26(23,24)21-10-9-15-6-3-4-7-16(15)13-21/h3-8,11H,2,9-10,12-14H2,1H3,(H,19,22)/p+1