2-[[(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]ammonio]ethyl-dimethyl-ammonium Formula: C19H34N2O2+2 MolecularWeight: 322.48546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC[NH+](C)C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CC[C@H](CC[NH2+]CC[NH+](C)C)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C19H32N2O2/c1-15(2)5-6-16(9-10-20-11-12-21(3)4)17-7-8-18-19(13-17)23-14-22-18/h7-8,13,15-16,20H,5-6,9-12,14H2,1-4H3/p+2/t16-/m1/s1