N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-ylidene]amino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-ylidene]amino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-[(2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-[(1S)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-ylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(Z)-[(2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethylidene]amino]-3H-phthalazine-1-carboxamide Formula: C22H24N5O3+ MolecularWeight: 406.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C(C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=O)C2=CC=CC=C21)/[C@H](C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C22H23N5O3/c1-15(20(16-7-3-2-4-8-16)27-11-13-30-14-12-27)23-26-22(29)19-17-9-5-6-10-18(17)21(28)25-24-19/h2-10,20H,11-14H2,1H3,(H,25,28)(H,26,29)/p+1/b23-15-/t20-/m1/s1