diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylazaniumyl]ethyl]azanium dichloride

Systemtic Name: diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylazaniumyl]ethyl]azanium dichloride Openeye Name: diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylammonio]ethyl]ammonium dichloride CAS Name: diethyl-[2-[3-(2-methyl-2-benzo[f][1,3]benzodioxolyl)propylammonio]ethyl]ammonium dichloride IUPAC Name: diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylazaniumyl]ethyl]azanium dichloride Traditional Name: diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylammonio]ethyl]ammonium dichloride Formula: C21H32Cl2N2O2 MolecularWeight: 415.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CCCC1(OC2=CC3=CC=CC=C3C=C2O1)C.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC[NH2+]CCCC1(OC2=CC3=CC=CC=C3C=C2O1)C.[Cl-].[Cl-]

InChI

InChI=1S/C21H30N2O2.2ClH/c1-4-23(5-2)14-13-22-12-8-11-21(3)24-19-15-17-9-6-7-10-18(17)16-20(19)25-21;;/h6-7,9-10,15-16,22H,4-5,8,11-14H2,1-3H3;2*1H