(1S)-1-(2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: (1S)-1-(2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: (1S)-1-(2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamine CAS Name: (1S)-1-(2-methoxy-5-methylphenyl)-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: (1S)-1-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylethanamine Traditional Name: [(1S)-1-(2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-ethyl]amine Formula: C15H25N2O+ MolecularWeight: 249.3718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C[NH+]2CCCCC2)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@@H](C[NH+]2CCCCC2)N

InChI

InChI=1S/C15H24N2O/c1-12-6-7-15(18-2)13(10-12)14(16)11-17-8-4-3-5-9-17/h6-7,10,14H,3-5,8-9,11,16H2,1-2H3/p+1/t14-/m1/s1