dimethyl-[3-[[3-(2-methylpropoxy)phenyl]methylazaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[[3-(2-methylpropoxy)phenyl]methylazaniumyl]propyl]azanium Openeye Name: 3-[(3-isobutoxyphenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[3-(2-methylpropoxy)phenyl]methylammonio]propyl]ammonium IUPAC Name: dimethyl-[3-[[3-(2-methylpropoxy)phenyl]methylazaniumyl]propyl]azanium Traditional Name: 3-[(3-isobutoxybenzyl)ammonio]propyl-dimethyl-ammonium Formula: C16H30N2O+2 MolecularWeight: 266.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C[NH2+]CCC[NH+](C)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C16H28N2O/c1-14(2)13-19-16-8-5-7-15(11-16)12-17-9-6-10-18(3)4/h5,7-8,11,14,17H,6,9-10,12-13H2,1-4H3/p+2