2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methoxyethyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methoxyethyl)-N-propan-2-yl-ethanamide Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-isopropyl-N-(2-methoxyethyl)acetamide CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-isopropyl-N-(2-methoxyethyl)acetamide Formula: C20H31FN3O4+ MolecularWeight: 396.476243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCOC)C(=O)CC1C(=O)NCC[NH+]1CC2=C(C=C(C=C2)OC)F

Isomeric SMILES

CC(C)N(CCOC)C(=O)C[C@H]1C(=O)NCC[NH+]1CC2=C(C=C(C=C2)OC)F

InChI

InChI=1S/C20H30FN3O4/c1-14(2)24(9-10-27-3)19(25)12-18-20(26)22-7-8-23(18)13-15-5-6-16(28-4)11-17(15)21/h5-6,11,14,18H,7-10,12-13H2,1-4H3,(H,22,26)/p+1/t18-/m0/s1