3,4-dihydro-1H-isochromen-1-ylmethyl(2-pyrrolidin-1-ium-1-ylethyl)azanium dichloride

Systemtic Name: 3,4-dihydro-1H-isochromen-1-ylmethyl(2-pyrrolidin-1-ium-1-ylethyl)azanium dichloride Openeye Name: isochroman-1-ylmethyl(2-pyrrolidin-1-ium-1-ylethyl)ammonium dichloride CAS Name: 3,4-dihydro-1H-2-benzopyran-1-ylmethyl-[2-(1-pyrrolidin-1-iumyl)ethyl]ammonium dichloride IUPAC Name: 3,4-dihydro-1H-isochromen-1-ylmethyl(2-pyrrolidin-1-ium-1-ylethyl)azanium dichloride Traditional Name: isochroman-1-ylmethyl(2-pyrrolidin-1-ium-1-ylethyl)ammonium dichloride Formula: C16H26Cl2N2O MolecularWeight: 333.29644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH2+]CC2C3=CC=CC=C3CCO2.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CC[NH2+]CC2C3=CC=CC=C3CCO2.[Cl-].[Cl-]

InChI

InChI=1S/C16H24N2O.2ClH/c1-2-6-15-14(5-1)7-12-19-16(15)13-17-8-11-18-9-3-4-10-18;;/h1-2,5-6,16-17H,3-4,7-13H2;2*1H