(E)-but-2-enedioic acid; N6-(3-chloranyl-4-methoxy-phenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methylpiperidin-1-ium-4-yl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: (E)-but-2-enedioic acid; N6-(3-chloranyl-4-methoxy-phenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methylpiperidin-1-ium-4-yl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-(3-chloro-4-methoxy-phenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methylpiperidin-1-ium-4-yl)-1,3,5-triazine-2,4,6-triamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N6-(3-chloro-4-methoxyphenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methyl-4-piperidin-1-iumyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: (E)-but-2-enedioic acid; 6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-1-ium-4-yl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(3-chloro-4-methoxy-anilino)-6-(cycloheptylamino)-s-triazin-2-yl]-methyl-(1-methylpiperidin-1-ium-4-yl)amine; fumaric acid Formula: C28H41ClN7O5+ MolecularWeight: 591.12204

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H36ClN7O.C4H4O4/c1-31-14-12-19(13-15-31)32(2)24-29-22(26-17-8-6-4-5-7-9-17)28-23(30-24)27-18-10-11-21(33-3)20(25)16-18;5-3(6)1-2-4(7)8/h10-11,16-17,19H,4-9,12-15H2,1-3H3,(H2,26,27,28,29,30);1-2H,(H,5,6)(H,7,8)/p+1/b;2-1+