2-[4-[4-(phenoxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(phenoxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(phenoxymethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[4-(phenoxymethyl)phenyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(phenoxymethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(phenoxymethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3/c28-23(26-12-4-5-13-26)18-25-14-16-27(17-15-25)24(29)21-10-8-20(9-11-21)19-30-22-6-2-1-3-7-22/h1-3,6-11H,4-5,12-19H2/p+1