4-oxidanylidene-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-3H-phthalazine-1-carboxamide Openeye Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]-3H-phthalazine-1-carboxamide IUPAC Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3/c26-20-18-9-5-4-8-17(18)19(23-24-20)21(27)22-12-16-14-25(10-11-28-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,27)(H,24,26)/p+1/t16-/m0/s1