3-(3-methylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-(3-methylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(3-methylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(3-methylphenoxy)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(3-methylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(3-methylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-17-4-3-5-20(16-17)26-15-10-21(25)22-18-6-8-19(9-7-18)24-13-11-23(2)12-14-24/h3-9,16H,10-15H2,1-2H3,(H,22,25)/p+1