N-[(1S,2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-propan-2-yl]-2-phenoxy-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CC[NH+](CC2)C)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@H](C1=CC=CC=C1)[NH+]2CC[NH+](CC2)C)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-18(23-21(26)17-27-20-11-7-4-8-12-20)22(19-9-5-3-6-10-19)25-15-13-24(2)14-16-25/h3-12,18,22H,13-17H2,1-2H3,(H,23,26)/p+2/t18-,22+/m0/s1