3-(2-tert-butyl-4-chloranyl-phenoxy)propyl-prop-2-enyl-azanium

Systemtic Name: 3-(2-tert-butyl-4-chloranyl-phenoxy)propyl-prop-2-enyl-azanium Openeye Name: allyl-[3-(2-tert-butyl-4-chloro-phenoxy)propyl]ammonium CAS Name: 3-(2-tert-butyl-4-chlorophenoxy)propyl-prop-2-enylammonium IUPAC Name: 3-(2-tert-butyl-4-chlorophenoxy)propyl-prop-2-enylazanium Traditional Name: allyl-[3-(2-tert-butyl-4-chloro-phenoxy)propyl]ammonium Formula: C16H25ClNO+ MolecularWeight: 282.8288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCC[NH2+]CC=C

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCC[NH2+]CC=C

InChI

InChI=1S/C16H24ClNO/c1-5-9-18-10-6-11-19-15-8-7-13(17)12-14(15)16(2,3)4/h5,7-8,12,18H,1,6,9-11H2,2-4H3/p+1