1-(2-chloranyl-4-nitro-phenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(2-chloro-4-nitro-phenyl)-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-(2-chloro-4-nitrophenyl)-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(2-chloro-4-nitrophenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-chloro-4-nitro-phenyl)-4-(3-pyridylmethyl)piperazin-4-ium Formula: C16H18ClN4O2+ MolecularWeight: 333.79272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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