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

Systemtic Name: 1-(diphenylmethyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-benzhydryl-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-(3-nitro-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-benzhydryl-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-benzhydryl-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Formula: C22H24N4O2+2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O2/c27-26(28)20-12-7-13-23-22(20)25-16-14-24(15-17-25)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,21H,14-17H2/p+2