(2R)-2-(4-methoxy-2-methyl-phenyl)azepan-1-ium

Systemtic Name: (2R)-2-(4-methoxy-2-methyl-phenyl)azepan-1-ium Openeye Name: (2R)-2-(4-methoxy-2-methyl-phenyl)azepan-1-ium CAS Name: (2R)-2-(4-methoxy-2-methylphenyl)azepan-1-ium IUPAC Name: (2R)-2-(4-methoxy-2-methylphenyl)azepan-1-ium Traditional Name: (2R)-2-(4-methoxy-2-methyl-phenyl)azepan-1-ium Formula: C14H22NO+ MolecularWeight: 220.33058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C2CCCCC[NH2+]2

Isomeric SMILES

CC1=C(C=CC(=C1)OC)[C@H]2CCCCC[NH2+]2

InChI

InChI=1S/C14H21NO/c1-11-10-12(16-2)7-8-13(11)14-6-4-3-5-9-15-14/h7-8,10,14-15H,3-6,9H2,1-2H3/p+1/t14-/m1/s1