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

Systemtic Name: 5-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(morpholin-4-ium-4-ylmethyl)-3-phenyl-1,2,4-triazin-6-one Openeye Name: 1-(morpholin-4-ium-4-ylmethyl)-5-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-phenyl-1,2,4-triazin-6-one CAS Name: 5-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-1-(4-morpholin-4-iumylmethyl)-3-phenyl-1,2,4-triazin-6-one IUPAC Name: 5-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-1-(morpholin-4-ium-4-ylmethyl)-3-phenyl-1,2,4-triazin-6-one Traditional Name: 1-(morpholin-4-ium-4-ylmethyl)-5-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-phenyl-1,2,4-triazin-6-one Formula: C27H35N5O3+2 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)C3=NC(=NN(C3=O)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)C3=NC(=NN(C3=O)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O3/c1-21-7-9-22(10-8-21)24(19-30-11-15-34-16-12-30)25-27(33)32(20-31-13-17-35-18-14-31)29-26(28-25)23-5-3-2-4-6-23/h2-10,24H,11-20H2,1H3/p+2/t24-/m0/s1