N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C20H22N4O3/c25-19-15-8-3-2-7-14(15)18(22-23-19)20(26)21-13-16(17-9-6-12-27-17)24-10-4-1-5-11-24/h2-3,6-9,12,16H,1,4-5,10-11,13H2,(H,21,26)(H,23,25)/p+1/t16-/m0/s1