1-[5-(4-nitrophenyl)furan-2-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-[5-(4-nitrophenyl)furan-2-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-[5-(4-nitrophenyl)-2-furyl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-[5-(4-nitrophenyl)-2-furanyl]-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-[5-(4-nitrophenyl)furan-2-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (Z)-[5-(4-nitrophenyl)-2-furyl]methylene-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C20H20N5O3+ MolecularWeight: 378.4045

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)N=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)/N=C\C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3/c26-25(27)17-6-4-16(5-7-17)19-9-8-18(28-19)15-22-24-13-11-23(12-14-24)20-3-1-2-10-21-20/h1-10,15H,11-14H2/p+1/b22-15-