(3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-indan-2-yl-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-indan-2-yl-3-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C24H31N5O2+2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C24H29N5O2/c30-23(28-13-11-27(12-14-28)20-5-7-25-8-6-20)17-22-24(31)26-9-10-29(22)21-15-18-3-1-2-4-19(18)16-21/h1-8,21-22H,9-17H2,(H,26,31)/p+2/t22-/m1/s1