(4S)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1COCC[NH+]1CCN=C[C@@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H22N4O3/c26-20-17-6-2-1-5-16(17)18(15-22-9-10-24-11-13-28-14-12-24)21(27)25(20)19-7-3-4-8-23-19/h1-8,15,18H,9-14H2/p+1/t18-/m1/s1