N-(2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)-N-methyl-naphthalene-1-sulfonamide iodide

Systemtic Name: N-(2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)-N-methyl-naphthalene-1-sulfonamide iodide Openeye Name: N-(2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)-N-methyl-naphthalene-1-sulfonamide iodide CAS Name: N-(2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)-N-methyl-1-naphthalenesulfonamide iodide IUPAC Name: N-(2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)-N-methylnaphthalene-1-sulfonamide iodide Traditional Name: N-(2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)-N-methyl-naphthalene-1-sulfonamide iodide Formula: C22H25IN2O2S MolecularWeight: 508.41557

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C[N+](CC2)(C)C)C=C1)S(=O)(=O)C3=CC=CC4=CC=CC=C43.[I-]

Isomeric SMILES

CN(C1=CC2=C(C[N+](CC2)(C)C)C=C1)S(=O)(=O)C3=CC=CC4=CC=CC=C43.[I-]

InChI

InChI=1S/C22H25N2O2S.HI/c1-23(20-12-11-19-16-24(2,3)14-13-18(19)15-20)27(25,26)22-10-6-8-17-7-4-5-9-21(17)22;/h4-12,15H,13-14,16H2,1-3H3;1H/q+1;/p-1