4-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-bromanyl-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-bromanyl-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-bromo-phenolate CAS Name: 4-[(1S)-2-ammonio-1-(4-methyl-1-piperidin-1-iumyl)ethyl]-2-bromophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-bromophenolate Traditional Name: 4-[(1S)-2-ammonio-1-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-bromo-phenolate Formula: C14H22BrN2O+ MolecularWeight: 314.24128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C[NH3+])C2=CC(=C(C=C2)[O-])Br

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C[NH3+])C2=CC(=C(C=C2)[O-])Br

InChI

InChI=1S/C14H21BrN2O/c1-10-4-6-17(7-5-10)13(9-16)11-2-3-14(18)12(15)8-11/h2-3,8,10,13,18H,4-7,9,16H2,1H3/p+1/t13-/m1/s1