(2S)-2-(4-bromanylphenoxy)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C20H24BrClN3O2+ MolecularWeight: 453.78046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrClN3O2/c1-14(27-17-6-3-15(21)4-7-17)20(26)23-18-13-16(22)5-8-19(18)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)/p+1/t14-/m0/s1