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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Traditional Name: [4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H22N4O4/c1-2-22-7-9-23(10-8-22)17-5-3-16(4-6-17)21-13-15-11-19-20(28-14-27-19)12-18(15)24(25)26/h3-6,11-13H,2,7-10,14H2,1H3/p+1