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

Systemtic Name: (3R)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxidanylidene-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(5-methyl-2-furyl)methyl]-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(5-methyl-2-furanyl)methyl]-3-[2-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-pyrazin-2-ylpiperazino)ethyl]-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-2-one Formula: C20H27N6O3+ MolecularWeight: 399.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C20H26N6O3/c1-15-2-3-16(29-15)14-26-7-6-23-20(28)17(26)12-19(27)25-10-8-24(9-11-25)18-13-21-4-5-22-18/h2-5,13,17H,6-12,14H2,1H3,(H,23,28)/p+1/t17-/m1/s1