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

Systemtic Name: 3-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(2,5-dimethylphenoxy)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-17-4-5-18(2)21(16-17)27-15-10-22(26)23-19-6-8-20(9-7-19)25-13-11-24(3)12-14-25/h4-9,16H,10-15H2,1-3H3,(H,23,26)/p+1