2-[4-(3-chloranyl-4,5-dimethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-chloranyl-4,5-dimethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-chloro-4,5-dimethoxy-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(3-chloro-4,5-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-chloro-4,5-dimethoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-chloro-4,5-dimethoxy-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H27ClN3O4+ MolecularWeight: 396.88838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3O4/c1-26-16-12-14(11-15(20)18(16)27-2)19(25)23-9-7-21(8-10-23)13-17(24)22-5-3-4-6-22/h11-12H,3-10,13H2,1-2H3/p+1