2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide Openeye Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]acetamide IUPAC Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NC(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O4/c27-21(16-26-22(28)14-18-8-4-5-9-19(18)23(26)29)24-20(17-6-2-1-3-7-17)15-25-10-12-30-13-11-25/h1-9,20H,10-16H2,(H,24,27)/p+1/t20-/m1/s1