(3R)-3-[2-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(5-chloro-2-pyridyl)piperazin-1-yl]-2-oxo-ethyl]-4-isopropyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(5-chloro-2-pyridinyl)-1-piperazinyl]-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(5-chloropyridin-2-yl)piperazin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(5-chloro-2-pyridyl)piperazino]-2-keto-ethyl]-4-isopropyl-piperazin-4-ium-2-one Formula: C18H27ClN5O2+ MolecularWeight: 380.89228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCN(CC2)C3=NC=C(C=C3)Cl

InChI

InChI=1S/C18H26ClN5O2/c1-13(2)24-6-5-20-18(26)15(24)11-17(25)23-9-7-22(8-10-23)16-4-3-14(19)12-21-16/h3-4,12-13,15H,5-11H2,1-2H3,(H,20,26)/p+1/t15-/m1/s1