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

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethylphenoxy)propanamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethylphenoxy)propanamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethylphenoxy)propanamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethylphenoxy)propionamide Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O2/c1-16-4-5-17(2)21(14-16)28-13-8-22(27)24-19-15-18(23)6-7-20(19)26-11-9-25(3)10-12-26/h4-7,14-15H,8-13H2,1-3H3,(H,24,27)/p+1