(3R)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxidanylidene-2-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxidanylidene-2-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]-2-oxo-ethyl]-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]-2-oxoethyl]-4-[(5-methyl-2-furanyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-hydroxy-4-(2-pyridyl)piperidino]-2-keto-ethyl]-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-2-one Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)(C4=CC=CC=N4)O

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)(C4=CC=CC=N4)O

InChI

InChI=1S/C22H28N4O4/c1-16-5-6-17(30-16)15-26-13-10-24-21(28)18(26)14-20(27)25-11-7-22(29,8-12-25)19-4-2-3-9-23-19/h2-6,9,18,29H,7-8,10-15H2,1H3,(H,24,28)/p+1/t18-/m1/s1