N1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-nitro-benzene-1,4-diamine

Systemtic Name: N1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-nitro-benzene-1,4-diamine Openeye Name: N1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-nitro-benzene-1,4-diamine CAS Name: N1-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]-2-nitrobenzene-1,4-diamine IUPAC Name: 1-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-nitrobenzene-1,4-diamine Traditional Name: (4-amino-2-nitro-phenyl)-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]amine Formula: C14H23N4O2+ MolecularWeight: 279.35802

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCNC2=C(C=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1)CCNC2=C(C=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H23N4O2/c1-18(8-3-2-4-9-18)10-7-16-13-6-5-12(15)11-14(13)17(19)20/h5-6,11,16H,2-4,7-10,15H2,1H3/q+1