1-[4-[[(3-azanylpyridin-4-yl)amino]methyl]cyclohexyl]carbonylindol-1-ium-1,4-dicarboxylic acid

Systemtic Name: 1-[4-[[(3-azanylpyridin-4-yl)amino]methyl]cyclohexyl]carbonylindol-1-ium-1,4-dicarboxylic acid Openeye Name: 1-[4-[[(3-amino-4-pyridyl)amino]methyl]cyclohexanecarbonyl]indol-1-ium-1,4-dicarboxylic acid CAS Name: 1-[[4-[[(3-amino-4-pyridinyl)amino]methyl]cyclohexyl]-oxomethyl]indol-1-ium-1,4-dicarboxylic acid IUPAC Name: 1-[4-[[(3-aminopyridin-4-yl)amino]methyl]cyclohexanecarbonyl]indol-1-ium-1,4-dicarboxylic acid Traditional Name: 1-[4-[[(3-amino-4-pyridyl)amino]methyl]cyclohexanecarbonyl]indol-1-ium-1,4-dicarboxylic acid Formula: C23H25N4O5+ MolecularWeight: 437.4684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=C(C=NC=C2)N)C(=O)[N+]3(C=CC4=C(C=CC=C43)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC2=C(C=NC=C2)N)C(=O)[N+]3(C=CC4=C(C=CC=C43)C(=O)O)C(=O)O

InChI

InChI=1S/C23H24N4O5/c24-18-13-25-10-8-19(18)26-12-14-4-6-15(7-5-14)21(28)27(23(31)32)11-9-16-17(22(29)30)2-1-3-20(16)27/h1-3,8-11,13-15H,4-7,12,24H2,(H2-,25,26,29,30,31,32)/p+1