(2S)-2-(4-bromanylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C19H24BrN4O2+ MolecularWeight: 420.32346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H23BrN4O2/c1-14(26-17-6-3-15(20)4-7-17)19(25)22-16-5-8-18(21-13-16)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)/p+1/t14-/m0/s1