2-[4-(2,5-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(2,5-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(2,5-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-25-15-5-6-17(26-2)16(13-15)19(24)22-11-9-20(10-12-22)14-18(23)21-7-3-4-8-21/h5-6,13H,3-4,7-12,14H2,1-2H3/p+1