N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-phenoxy-ethanamide Openeye Name: N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]-2-phenoxy-acetamide CAS Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-2-phenoxyacetamide IUPAC Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-phenoxyacetamide Traditional Name: N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]-2-phenoxy-acetamide Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)COC2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N3O2/c1-18-8-10-19(11-9-18)21(25-14-12-24(2)13-15-25)16-23-22(26)17-27-20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3,(H,23,26)/p+2/t21-/m0/s1