3-ethyl-4-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]phthalazine-1-carboxamide Openeye Name: 3-ethyl-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]phthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]phthalazine-1-carboxamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C23H32N4O2/c1-2-27-22(29)19-12-6-5-11-18(19)20(25-27)21(28)24-17-23(13-7-3-8-14-23)26-15-9-4-10-16-26/h5-6,11-12H,2-4,7-10,13-17H2,1H3,(H,24,28)/p+1