(2S)-2-(2-chloranylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]propanamide

Systemtic Name: (2S)-2-(2-chloranylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]propanamide Openeye Name: (2S)-2-(2-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propanamide CAS Name: (2S)-2-(2-chlorophenoxy)-N-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]propanamide IUPAC Name: (2S)-2-(2-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propanamide Traditional Name: (2S)-2-(2-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propionamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C)OC3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O3/c1-15(28-19-10-6-4-8-17(19)22)20(26)23-18-9-5-3-7-16(18)21(27)25-13-11-24(2)12-14-25/h3-10,15H,11-14H2,1-2H3,(H,23,26)/p+1/t15-/m0/s1