ethyl-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(2-methylprop-2-enyl)azanium

Systemtic Name: ethyl-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(2-methylprop-2-enyl)azanium Openeye Name: ethyl-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxo-azepan-4-yl]-(2-methylallyl)ammonium CAS Name: ethyl-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxo-4-azepanyl]-(2-methylprop-2-enyl)ammonium IUPAC Name: ethyl-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxoazepan-4-yl]-(2-methylprop-2-enyl)azanium Traditional Name: ethyl-[(4R)-7-keto-1-p-anisyl-azepan-4-yl]-(2-methylallyl)ammonium Formula: C20H31N2O2+ MolecularWeight: 331.47234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=C)C)C1CCC(=O)N(CC1)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC[NH+](CC(=C)C)[C@@H]1CCC(=O)N(CC1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H30N2O2/c1-5-21(14-16(2)3)18-8-11-20(23)22(13-12-18)15-17-6-9-19(24-4)10-7-17/h6-7,9-10,18H,2,5,8,11-15H2,1,3-4H3/p+1/t18-/m1/s1