N-[[4-[(3-nitrophenyl)methylamino]phenyl]methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[[4-[(3-nitrophenyl)methylamino]phenyl]methyl]pyridin-1-ium-2-amine Openeye Name: N-[[4-[(3-nitrophenyl)methylamino]phenyl]methyl]pyridin-1-ium-2-amine CAS Name: N-[[4-[(3-nitrophenyl)methylamino]phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: N-[[4-[(3-nitrophenyl)methylamino]phenyl]methyl]pyridin-1-ium-2-amine Traditional Name: (3-nitrobenzyl)-[4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]amine Formula: C19H19N4O2+ MolecularWeight: 335.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O2/c24-23(25)18-5-3-4-16(12-18)14-21-17-9-7-15(8-10-17)13-22-19-6-1-2-11-20-19/h1-12,21H,13-14H2,(H,20,22)/p+1