1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitropyridin-2-one Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-2-pyridone Formula: C16H18ClN4O3+ MolecularWeight: 349.79212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=C(C=CC2=O)[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C=C(C=CC2=O)[N+](=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H17ClN4O3/c17-13-2-1-3-14(10-13)19-8-6-18(7-9-19)12-20-11-15(21(23)24)4-5-16(20)22/h1-5,10-11H,6-9,12H2/p+1