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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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