3-[[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]ammonio]propyl-dimethyl-ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)[NH2+]CCC[NH+](C)C

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)OC)OC)[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C16H28N2O2/c1-13(17-9-6-10-18(2)3)11-14-7-8-15(19-4)16(12-14)20-5/h7-8,12-13,17H,6,9-11H2,1-5H3/p+2/t13-/m0/s1