6-methyl-2-[(2E)-2-[(4-morpholin-4-ium-4-ylphenyl)methylidene]hydrazinyl]-1H-pyrimidin-4-one ethanoate

Systemtic Name: 6-methyl-2-[(2E)-2-[(4-morpholin-4-ium-4-ylphenyl)methylidene]hydrazinyl]-1H-pyrimidin-4-one ethanoate Openeye Name: 6-methyl-2-[(2E)-2-[(4-morpholin-4-ium-4-ylphenyl)methylene]hydrazino]-1H-pyrimidin-4-one acetate CAS Name: 6-methyl-2-[(2E)-2-[[4-(4-morpholin-4-iumyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-4-one acetate IUPAC Name: 6-methyl-2-[(2E)-2-[(4-morpholin-4-ium-4-ylphenyl)methylidene]hydrazinyl]-1H-pyrimidin-4-one acetate Traditional Name: 6-methyl-2-[(N'E)-N'-(4-morpholin-4-ium-4-ylbenzylidene)hydrazino]-1H-pyrimidin-4-one acetate Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NN=CC2=CC=C(C=C2)[NH+]3CCOCC3.CC(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)N/N=C/C2=CC=C(C=C2)[NH+]3CCOCC3.CC(=O)[O-]

InChI

InChI=1S/C16H19N5O2.C2H4O2/c1-12-10-15(22)19-16(18-12)20-17-11-13-2-4-14(5-3-13)21-6-8-23-9-7-21;1-2(3)4/h2-5,10-11H,6-9H2,1H3,(H2,18,19,20,22);1H3,(H,3,4)/b17-11+;