5-[(1S)-1-(4-chlorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(morpholin-4-ium-4-ylmethyl)-3-phenyl-1,2,4-triazin-6-one

Systemtic Name: 5-[(1S)-1-(4-chlorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(morpholin-4-ium-4-ylmethyl)-3-phenyl-1,2,4-triazin-6-one Openeye Name: 5-[(1S)-1-(4-chlorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(morpholin-4-ium-4-ylmethyl)-3-phenyl-1,2,4-triazin-6-one CAS Name: 5-[(1S)-1-(4-chlorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-1-(4-morpholin-4-iumylmethyl)-3-phenyl-1,2,4-triazin-6-one IUPAC Name: 5-[(1S)-1-(4-chlorophenyl)-2-morpholin-4-ium-4-ylethyl]-1-(morpholin-4-ium-4-ylmethyl)-3-phenyl-1,2,4-triazin-6-one Traditional Name: 5-[(1S)-1-(4-chlorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(morpholin-4-ium-4-ylmethyl)-3-phenyl-1,2,4-triazin-6-one Formula: C26H32ClN5O3+2 MolecularWeight: 498.01698

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=C(C=C2)Cl)C3=NC(=NN(C3=O)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=C(C=C2)Cl)C3=NC(=NN(C3=O)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H30ClN5O3/c27-22-8-6-20(7-9-22)23(18-30-10-14-34-15-11-30)24-26(33)32(19-31-12-16-35-17-13-31)29-25(28-24)21-4-2-1-3-5-21/h1-9,23H,10-19H2/p+2/t23-/m1/s1