1-[(4-chlorophenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-(3-nitro-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Formula: C16H19ClN4O2+2 MolecularWeight: 334.80066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

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