(2S)-2-(2-bromanyl-4-chloranyl-phenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]propanamide

Systemtic Name: (2S)-2-(2-bromanyl-4-chloranyl-phenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]propanamide Openeye Name: (2S)-2-(2-bromo-4-chloro-phenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propanamide CAS Name: (2S)-2-(2-bromo-4-chlorophenoxy)-N-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]propanamide IUPAC Name: (2S)-2-(2-bromo-4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propanamide Traditional Name: (2S)-2-(2-bromo-4-chloro-phenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propionamide Formula: C21H24BrClN3O3+ MolecularWeight: 481.79056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C21H23BrClN3O3/c1-14(29-19-8-7-15(23)13-17(19)22)20(27)24-18-6-4-3-5-16(18)21(28)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)/p+1/t14-/m0/s1