1-(6-nitro-1,3-benzodioxol-5-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methanimine

Systemtic Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methanimine Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine CAS Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]methanimine IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Traditional Name: [4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C25H25N4O4+ MolecularWeight: 445.4904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C25H24N4O4/c30-29(31)23-15-25-24(32-18-33-25)14-20(23)16-26-21-6-8-22(9-7-21)28-12-10-27(11-13-28)17-19-4-2-1-3-5-19/h1-9,14-16H,10-13,17-18H2/p+1