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

Systemtic Name: 1-[(2R)-3-methyl-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]pyridin-4-one Openeye Name: 1-[(1R)-2-methyl-1-(piperazin-4-ium-1-carbonyl)propyl]pyridin-4-one CAS Name: 1-[(2R)-3-methyl-1-oxo-1-(1-piperazin-4-iumyl)butan-2-yl]-4-pyridinone IUPAC Name: 1-[(2R)-3-methyl-1-oxo-1-piperazin-4-ium-1-ylbutan-2-yl]pyridin-4-one Traditional Name: 1-[(1R)-2-methyl-1-(piperazin-4-ium-1-carbonyl)propyl]-4-pyridone Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH2+]CC1)N2C=CC(=O)C=C2

Isomeric SMILES

CC(C)[C@H](C(=O)N1CC[NH2+]CC1)N2C=CC(=O)C=C2

InChI

InChI=1S/C14H21N3O2/c1-11(2)13(16-7-3-12(18)4-8-16)14(19)17-9-5-15-6-10-17/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3/p+1/t13-/m1/s1