N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[(1S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-phenoxy-acetamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C16H23N3O3/c1-13(16(21)19-10-8-18(2)9-11-19)17-15(20)12-22-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,20)/p+1/t13-/m0/s1