3-azaniumylpropyl-[3-[4-(2-methylpropyl)phenoxy]propyl]azanium

Systemtic Name: 3-azaniumylpropyl-[3-[4-(2-methylpropyl)phenoxy]propyl]azanium Openeye Name: 3-azaniumylpropyl-[3-(4-isobutylphenoxy)propyl]ammonium CAS Name: 3-ammoniopropyl-[3-[4-(2-methylpropyl)phenoxy]propyl]ammonium IUPAC Name: 3-azaniumylpropyl-[3-[4-(2-methylpropyl)phenoxy]propyl]azanium Traditional Name: 3-ammoniopropyl-[3-(4-isobutylphenoxy)propyl]ammonium Formula: C16H30N2O+2 MolecularWeight: 266.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)OCCC[NH2+]CCC[NH3+]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)OCCC[NH2+]CCC[NH3+]

InChI

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