2-azaniumylethyl-[4-(2-tert-butyl-4-chloranyl-phenoxy)butyl]azanium

Systemtic Name: 2-azaniumylethyl-[4-(2-tert-butyl-4-chloranyl-phenoxy)butyl]azanium Openeye Name: 2-azaniumylethyl-[4-(2-tert-butyl-4-chloro-phenoxy)butyl]ammonium CAS Name: 2-ammonioethyl-[4-(2-tert-butyl-4-chlorophenoxy)butyl]ammonium IUPAC Name: 2-azaniumylethyl-[4-(2-tert-butyl-4-chlorophenoxy)butyl]azanium Traditional Name: 2-ammonioethyl-[4-(2-tert-butyl-4-chloro-phenoxy)butyl]ammonium Formula: C16H29ClN2O+2 MolecularWeight: 300.86726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCCC[NH2+]CC[NH3+]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCCC[NH2+]CC[NH3+]

InChI

InChI=1S/C16H27ClN2O/c1-16(2,3)14-12-13(17)6-7-15(14)20-11-5-4-9-19-10-8-18/h6-7,12,19H,4-5,8-11,18H2,1-3H3/p+2