2-[3-[(dimethylsulfamoylamino)methyl]pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-[(dimethylsulfamoylamino)methyl]pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-[(dimethylsulfamoylamino)methyl]pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-[(dimethylsulfamoylamino)methyl]-2-pyridin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-[(dimethylsulfamoylamino)methyl]pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-[(dimethylsulfamoylamino)methyl]pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCC1=C([NH+]=CC=C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CN(C)S(=O)(=O)NCC1=C([NH+]=CC=C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H22N4O2S/c1-20(2)24(22,23)19-12-15-8-5-10-18-17(15)21-11-9-14-6-3-4-7-16(14)13-21/h3-8,10,19H,9,11-13H2,1-2H3/p+1