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

Systemtic Name: (2R)-2-phenyl-1-piperidin-1-yl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: (2R)-2-phenyl-1-(1-piperidyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: (2R)-2-phenyl-1-(1-piperidinyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: (2R)-2-phenyl-1-piperidin-1-yl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: (2R)-2-phenyl-1-piperidino-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H28N4O/c27-22(26-13-7-2-8-14-26)21(19-9-3-1-4-10-19)25-17-15-24(16-18-25)20-11-5-6-12-23-20/h1,3-6,9-12,21H,2,7-8,13-18H2/p+2/t21-/m1/s1