3-[1-(azaniumylmethyl)-3,4-dihydroisochromen-1-yl]propyl-diethyl-azanium dichloride

Systemtic Name: 3-[1-(azaniumylmethyl)-3,4-dihydroisochromen-1-yl]propyl-diethyl-azanium dichloride Openeye Name: 3-[1-(azaniumylmethyl)isochroman-1-yl]propyl-diethyl-ammonium dichloride CAS Name: 3-[1-(ammoniomethyl)-3,4-dihydro-1H-2-benzopyran-1-yl]propyl-diethylammonium dichloride IUPAC Name: 3-[1-(azaniumylmethyl)-3,4-dihydroisochromen-1-yl]propyl-diethylazanium dichloride Traditional Name: 3-[1-(ammoniomethyl)isochroman-1-yl]propyl-diethyl-ammonium dichloride Formula: C17H30Cl2N2O MolecularWeight: 349.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC1(C2=CC=CC=C2CCO1)C[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCC1(C2=CC=CC=C2CCO1)C[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C17H28N2O.2ClH/c1-3-19(4-2)12-7-11-17(14-18)16-9-6-5-8-15(16)10-13-20-17;;/h5-6,8-9H,3-4,7,10-14,18H2,1-2H3;2*1H