5-cyano-3-[5-[(4-oxidanylmorpholin-4-ium-4-yl)methyl]pyridin-2-yl]-3H-indol-2-olate

Systemtic Name: 5-cyano-3-[5-[(4-oxidanylmorpholin-4-ium-4-yl)methyl]pyridin-2-yl]-3H-indol-2-olate Openeye Name: 5-cyano-3-[5-[(4-hydroxymorpholin-4-ium-4-yl)methyl]-2-pyridyl]-3H-indol-2-olate CAS Name: 5-cyano-3-[5-[(4-hydroxy-4-morpholin-4-iumyl)methyl]-2-pyridinyl]-3H-indol-2-olate IUPAC Name: 5-cyano-3-[5-[(4-hydroxymorpholin-4-ium-4-yl)methyl]pyridin-2-yl]-3H-indol-2-olate Traditional Name: 5-cyano-3-[5-[(4-hydroxymorpholin-4-ium-4-yl)methyl]-2-pyridyl]-3H-indol-2-olate Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CC2=CN=C(C=C2)C3C4=C(C=CC(=C4)C#N)N=C3[O-])O

Isomeric SMILES

C1COCC[N+]1(CC2=CN=C(C=C2)C3C4=C(C=CC(=C4)C#N)N=C3[O-])O

InChI

InChI=1S/C19H18N4O3/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23(25)5-7-26-8-6-23/h1-4,9,11,18,25H,5-8,12H2