(3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxidanylidene-2-(4-pyridin-4-ylpiperidin-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-4-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-indan-2-yl-3-[2-oxo-2-[4-(4-pyridyl)-1-piperidyl]ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-(4-pyridin-4-yl-1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-indan-2-yl-3-[2-keto-2-[4-(4-pyridyl)piperidino]ethyl]piperazin-4-ium-2-one Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=NC=C2)C(=O)CC3C(=O)NCC[NH+]3C4CC5=CC=CC=C5C4

Isomeric SMILES

C1CN(CCC1C2=CC=NC=C2)C(=O)C[C@@H]3C(=O)NCC[NH+]3C4CC5=CC=CC=C5C4

InChI

InChI=1S/C25H30N4O2/c30-24(28-12-7-19(8-13-28)18-5-9-26-10-6-18)17-23-25(31)27-11-14-29(23)22-15-20-3-1-2-4-21(20)16-22/h1-6,9-10,19,22-23H,7-8,11-17H2,(H,27,31)/p+1/t23-/m1/s1