4-(4-chloranyl-2-prop-2-enyl-phenoxy)butyl-(2-dimethylaminoethyl)azanium

Systemtic Name: 4-(4-chloranyl-2-prop-2-enyl-phenoxy)butyl-(2-dimethylaminoethyl)azanium Openeye Name: 4-(2-allyl-4-chloro-phenoxy)butyl-(2-dimethylaminoethyl)ammonium CAS Name: 4-(4-chloro-2-prop-2-enylphenoxy)butyl-(2-dimethylaminoethyl)ammonium IUPAC Name: 4-(4-chloro-2-prop-2-enylphenoxy)butyl-(2-dimethylaminoethyl)azanium Traditional Name: 4-(2-allyl-4-chloro-phenoxy)butyl-(2-dimethylaminoethyl)ammonium Formula: C17H28ClN2O+ MolecularWeight: 311.87002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]CCCCOC1=C(C=C(C=C1)Cl)CC=C

Isomeric SMILES

CN(C)CC[NH2+]CCCCOC1=C(C=C(C=C1)Cl)CC=C

InChI

InChI=1S/C17H27ClN2O/c1-4-7-15-14-16(18)8-9-17(15)21-13-6-5-10-19-11-12-20(2)3/h4,8-9,14,19H,1,5-7,10-13H2,2-3H3/p+1