dimethyl-[3-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]azaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]azaniumyl]propyl]azanium Openeye Name: 3-[[(1S)-1-(4-isopropoxyphenyl)ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]ammonio]propyl]ammonium IUPAC Name: dimethyl-[3-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]azaniumyl]propyl]azanium Traditional Name: 3-[[(1S)-1-(4-isopropoxyphenyl)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C16H30N2O+2 MolecularWeight: 266.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C)[NH2+]CCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O/c1-13(2)19-16-9-7-15(8-10-16)14(3)17-11-6-12-18(4)5/h7-10,13-14,17H,6,11-12H2,1-5H3/p+2/t14-/m0/s1