(3R)-4-cyclopentyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-cyclopentyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-cyclopentyl-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-cyclopentyl-3-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-cyclopentyl-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-cyclopentyl-3-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C20H31N5O2+2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H29N5O2/c26-19(24-13-11-23(12-14-24)16-5-7-21-8-6-16)15-18-20(27)22-9-10-25(18)17-3-1-2-4-17/h5-8,17-18H,1-4,9-15H2,(H,22,27)/p+2/t18-/m1/s1