3-(3,4-dihydro-1H-isochromen-1-ylmethylazaniumyl)propyl-dimethyl-azanium dichloride

Systemtic Name: 3-(3,4-dihydro-1H-isochromen-1-ylmethylazaniumyl)propyl-dimethyl-azanium dichloride Openeye Name: 3-(isochroman-1-ylmethylammonio)propyl-dimethyl-ammonium dichloride CAS Name: 3-(3,4-dihydro-1H-2-benzopyran-1-ylmethylammonio)propyl-dimethylammonium dichloride IUPAC Name: 3-(3,4-dihydro-1H-isochromen-1-ylmethylazaniumyl)propyl-dimethylazanium dichloride Traditional Name: 3-(isochroman-1-ylmethylammonio)propyl-dimethyl-ammonium dichloride Formula: C15H26Cl2N2O MolecularWeight: 321.28574

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1C2=CC=CC=C2CCO1.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1C2=CC=CC=C2CCO1.[Cl-].[Cl-]

InChI

InChI=1S/C15H24N2O.2ClH/c1-17(2)10-5-9-16-12-15-14-7-4-3-6-13(14)8-11-18-15;;/h3-4,6-7,15-16H,5,8-12H2,1-2H3;2*1H