5-(azepan-1-yl)-1-(2-methyl-1-oxidanylidene-1-piperazin-4-ium-1-yl-propan-2-yl)pyridin-2-one

Systemtic Name: 5-(azepan-1-yl)-1-(2-methyl-1-oxidanylidene-1-piperazin-4-ium-1-yl-propan-2-yl)pyridin-2-one Openeye Name: 5-(azepan-1-yl)-1-(1,1-dimethyl-2-oxo-2-piperazin-4-ium-1-yl-ethyl)pyridin-2-one CAS Name: 5-(1-azepanyl)-1-[2-methyl-1-oxo-1-(1-piperazin-4-iumyl)propan-2-yl]-2-pyridinone IUPAC Name: 5-(azepan-1-yl)-1-(2-methyl-1-oxo-1-piperazin-4-ium-1-ylpropan-2-yl)pyridin-2-one Traditional Name: 5-(azepan-1-yl)-1-(2-keto-1,1-dimethyl-2-piperazin-4-ium-1-yl-ethyl)-2-pyridone Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CC[NH2+]CC1)N2C=C(C=CC2=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C(=O)N1CC[NH2+]CC1)N2C=C(C=CC2=O)N3CCCCCC3

InChI

InChI=1S/C19H30N4O2/c1-19(2,18(25)22-13-9-20-10-14-22)23-15-16(7-8-17(23)24)21-11-5-3-4-6-12-21/h7-8,15,20H,3-6,9-14H2,1-2H3/p+1