1-(naphthalen-1-ylmethyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-(1-naphthylmethyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-(1-naphthalenylmethyl)-4-(3-nitro-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-(1-naphthylmethyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Formula: C20H22N4O2+2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O2/c25-24(26)19-9-4-10-21-20(19)23-13-11-22(12-14-23)15-17-7-3-6-16-5-1-2-8-18(16)17/h1-10H,11-15H2/p+2