[(2R)-2-(azepan-1-ium-1-yl)-2-[4-(2-methylphenoxy)phenyl]ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-[4-(2-methylphenoxy)phenyl]ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-[4-(2-methylphenoxy)phenyl]ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-[4-(2-methylphenoxy)phenyl]ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-[4-(2-methylphenoxy)phenyl]ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-[4-(2-methylphenoxy)phenyl]ethyl]ammonium Formula: C21H30N2O+2 MolecularWeight: 326.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=C(C=C2)C(C[NH3+])[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)[C@H](C[NH3+])[NH+]3CCCCCC3

InChI

InChI=1S/C21H28N2O/c1-17-8-4-5-9-21(17)24-19-12-10-18(11-13-19)20(16-22)23-14-6-2-3-7-15-23/h4-5,8-13,20H,2-3,6-7,14-16,22H2,1H3/p+2/t20-/m0/s1