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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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