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

Systemtic Name: (3R)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxidanylidene-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(5-methyl-2-furyl)methyl]-3-[2-oxo-2-[4-(4-pyridyl)-1-piperidyl]ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(5-methyl-2-furanyl)methyl]-3-[2-oxo-2-(4-pyridin-4-yl-1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(4-pyridyl)piperidino]ethyl]-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-2-one Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-16-2-3-19(29-16)15-26-13-10-24-22(28)20(26)14-21(27)25-11-6-18(7-12-25)17-4-8-23-9-5-17/h2-5,8-9,18,20H,6-7,10-15H2,1H3,(H,24,28)/p+1/t20-/m1/s1