2-[2-chloranyl-6-methoxy-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide

Systemtic Name: 2-[2-chloranyl-6-methoxy-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide Openeye Name: 2-[2-chloro-6-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide CAS Name: 2-[2-chloro-6-methoxy-4-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenoxy]acetamide IUPAC Name: 2-[2-chloro-6-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide Traditional Name: 2-[2-chloro-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]-6-methoxy-phenoxy]acetamide Formula: C20H28ClN4O5+ MolecularWeight: 439.91312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)Cl)OCC(=O)N

InChI

InChI=1S/C20H27ClN4O5/c1-29-16-11-14(10-15(21)19(16)30-13-17(22)26)20(28)25-8-6-23(7-9-25)12-18(27)24-4-2-3-5-24/h10-11H,2-9,12-13H2,1H3,(H2,22,26)/p+1