2-(5-ethanoyl-2-methoxy-phenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(5-ethanoyl-2-methoxy-phenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethanone Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-16(25)17-5-6-19(28-2)18(13-17)14-20(26)24-11-9-22(10-12-24)15-21(27)23-7-3-4-8-23/h5-6,13H,3-4,7-12,14-15H2,1-2H3/p+1