(2R)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-pyrrolidino-ethanone Formula: C21H28N4O+2 MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N4O/c26-21(25-12-6-7-13-25)20(18-8-2-1-3-9-18)24-16-14-23(15-17-24)19-10-4-5-11-22-19/h1-5,8-11,20H,6-7,12-17H2/p+2/t20-/m1/s1