dimethyl-[2-[3-[4-(2-phenylpropan-2-yl)phenoxy]propylazaniumyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[4-(2-phenylpropan-2-yl)phenoxy]propylazaniumyl]ethyl]azanium Openeye Name: dimethyl-[2-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propylammonio]ethyl]ammonium CAS Name: dimethyl-[2-[3-[4-(2-phenylpropan-2-yl)phenoxy]propylammonio]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[4-(2-phenylpropan-2-yl)phenoxy]propylazaniumyl]ethyl]azanium Traditional Name: 2-[3-(4-cumylphenoxy)propylammonio]ethyl-dimethyl-ammonium Formula: C22H34N2O+2 MolecularWeight: 342.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[NH2+]CC[NH+](C)C

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[NH2+]CC[NH+](C)C

InChI

InChI=1S/C22H32N2O/c1-22(2,19-9-6-5-7-10-19)20-11-13-21(14-12-20)25-18-8-15-23-16-17-24(3)4/h5-7,9-14,23H,8,15-18H2,1-4H3/p+2