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

Systemtic Name: 1-[(5-chloranyl-2-nitro-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(5-chloro-2-nitro-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(5-chloro-2-nitrophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(5-chloro-2-nitrophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(5-chloro-2-nitro-benzyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C16H18ClN4O2+ MolecularWeight: 333.79272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17ClN4O2/c17-14-4-5-15(21(22)23)13(11-14)12-19-7-9-20(10-8-19)16-3-1-2-6-18-16/h1-6,11H,7-10,12H2/p+1