[(2R)-butan-2-yl]-[4-(4-chloranyl-2-prop-2-enyl-phenoxy)butyl]azanium

Systemtic Name: [(2R)-butan-2-yl]-[4-(4-chloranyl-2-prop-2-enyl-phenoxy)butyl]azanium Openeye Name: 4-(2-allyl-4-chloro-phenoxy)butyl-[(1R)-1-methylpropyl]ammonium CAS Name: [(2R)-butan-2-yl]-[4-(4-chloro-2-prop-2-enylphenoxy)butyl]ammonium IUPAC Name: [(2R)-butan-2-yl]-[4-(4-chloro-2-prop-2-enylphenoxy)butyl]azanium Traditional Name: 4-(2-allyl-4-chloro-phenoxy)butyl-[(1R)-1-methylpropyl]ammonium Formula: C17H27ClNO+ MolecularWeight: 296.85538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClNO/c1-4-8-15-13-16(18)9-10-17(15)20-12-7-6-11-19-14(3)5-2/h4,9-10,13-14,19H,1,5-8,11-12H2,2-3H3/p+1/t14-/m1/s1