1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-propyl-piperazine-1,4-diium dichloride

Systemtic Name: 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-propyl-piperazine-1,4-diium dichloride Openeye Name: 1-(isochroman-1-ylmethyl)-4-propyl-piperazine-1,4-diium dichloride CAS Name: 1-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-4-propylpiperazine-1,4-diium dichloride IUPAC Name: 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-propylpiperazine-1,4-diium dichloride Traditional Name: 1-(isochroman-1-ylmethyl)-4-propyl-piperazine-1,4-diium dichloride Formula: C17H28Cl2N2O MolecularWeight: 347.32302

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC[NH+](CC1)CC2C3=CC=CC=C3CCO2.[Cl-].[Cl-]

Isomeric SMILES

CCC[NH+]1CC[NH+](CC1)CC2C3=CC=CC=C3CCO2.[Cl-].[Cl-]

InChI

InChI=1S/C17H26N2O.2ClH/c1-2-8-18-9-11-19(12-10-18)14-17-16-6-4-3-5-15(16)7-13-20-17;;/h3-6,17H,2,7-14H2,1H3;2*1H