1-(3-nitropyridin-1-ium-2-yl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-(3-nitro-2-pyridin-1-iumyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-benzyl-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Formula: C16H20N4O2+2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2/c21-20(22)15-7-4-8-17-16(15)19-11-9-18(10-12-19)13-14-5-2-1-3-6-14/h1-8H,9-13H2/p+2