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

Systemtic Name: 2-[4-(1-phenylcyclopropyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-(1-phenylcyclopropyl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N3O2/c24-18(22-10-4-5-11-22)16-21-12-14-23(15-13-21)19(25)20(8-9-20)17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-16H2/p+1