1-[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[3-(4-ethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(4-keto-3-p-phenetyl-phthalazine-1-carbonyl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C28H34N5O4+ MolecularWeight: 504.60066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCC(CC4)(C(=O)N)[NH+]5CCCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCC(CC4)(C(=O)N)[NH+]5CCCCC5

InChI

InChI=1S/C28H33N5O4/c1-2-37-21-12-10-20(11-13-21)33-25(34)23-9-5-4-8-22(23)24(30-33)26(35)31-18-14-28(15-19-31,27(29)36)32-16-6-3-7-17-32/h4-5,8-13H,2-3,6-7,14-19H2,1H3,(H2,29,36)/p+1