1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-nitropyridin-2-one Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-2-pyridone Formula: C17H20ClN4O3+ MolecularWeight: 363.8187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN4O3/c1-13-2-3-14(18)10-16(13)20-8-6-19(7-9-20)12-21-11-15(22(24)25)4-5-17(21)23/h2-5,10-11H,6-9,12H2,1H3/p+1