5-chloranyl-1-[(2R)-3-methyl-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]pyridin-2-one

Systemtic Name: 5-chloranyl-1-[(2R)-3-methyl-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]pyridin-2-one Openeye Name: 5-chloro-1-[(1R)-2-methyl-1-(piperazin-4-ium-1-carbonyl)propyl]pyridin-2-one CAS Name: 5-chloro-1-[(2R)-3-methyl-1-oxo-1-(1-piperazin-4-iumyl)butan-2-yl]-2-pyridinone IUPAC Name: 5-chloro-1-[(2R)-3-methyl-1-oxo-1-piperazin-4-ium-1-ylbutan-2-yl]pyridin-2-one Traditional Name: 5-chloro-1-[(1R)-2-methyl-1-(piperazin-4-ium-1-carbonyl)propyl]-2-pyridone Formula: C14H21ClN3O2+ MolecularWeight: 298.78844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH2+]CC1)N2C=C(C=CC2=O)Cl

Isomeric SMILES

CC(C)[C@H](C(=O)N1CC[NH2+]CC1)N2C=C(C=CC2=O)Cl

InChI

InChI=1S/C14H20ClN3O2/c1-10(2)13(14(20)17-7-5-16-6-8-17)18-9-11(15)3-4-12(18)19/h3-4,9-10,13,16H,5-8H2,1-2H3/p+1/t13-/m1/s1