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

Systemtic Name: (2R)-2-(3-methylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: (2R)-2-(3-methylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: (2R)-2-(3-methylphenoxy)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: (2R)-2-(3-methylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: (2R)-2-(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)OC(C)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-16-5-4-6-20(15-16)26-17(2)21(25)22-18-7-9-19(10-8-18)24-13-11-23(3)12-14-24/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)/p+1/t17-/m1/s1