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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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