(2S)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)propanamide

Systemtic Name: (2S)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)propanamide Openeye Name: (2S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)propanamide CAS Name: (2S)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(3-methylphenoxy)propanamide IUPAC Name: (2S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)propanamide Traditional Name: (2S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)propionamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H26ClN3O2/c1-15-5-4-6-18(13-15)27-16(2)21(26)23-19-14-17(22)7-8-20(19)25-11-9-24(3)10-12-25/h4-8,13-14,16H,9-12H2,1-3H3,(H,23,26)/p+1/t16-/m0/s1