1-[2-(2-chloranylphenoxy)ethyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[2-(2-chloranylphenoxy)ethyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Formula: C17H21ClN4O3+2 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN4O3/c18-14-4-1-2-6-16(14)25-13-12-20-8-10-21(11-9-20)17-15(22(23)24)5-3-7-19-17/h1-7H,8-13H2/p+2