butanoate; 4-(6-imidazol-1-ylpyridin-3-yl)-3-methyl-morpholin-4-ium-4-carbonitrile

Systemtic Name: butanoate; 4-(6-imidazol-1-ylpyridin-3-yl)-3-methyl-morpholin-4-ium-4-carbonitrile Openeye Name: butanoate; 4-(6-imidazol-1-yl-3-pyridyl)-3-methyl-morpholin-4-ium-4-carbonitrile CAS Name: butanoate; 4-[6-(1-imidazolyl)-3-pyridinyl]-3-methyl-4-morpholin-4-iumcarbonitrile IUPAC Name: butanoate; 4-(6-imidazol-1-ylpyridin-3-yl)-3-methylmorpholin-4-ium-4-carbonitrile Traditional Name: butyrate; 4-(6-imidazol-1-yl-3-pyridyl)-3-methyl-morpholin-4-ium-4-carbonitrile Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CC1COCC[N+]1(C#N)C2=CN=C(C=C2)N3C=CN=C3

Isomeric SMILES

CCCC(=O)[O-].CC1COCC[N+]1(C#N)C2=CN=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C14H16N5O.C4H8O2/c1-12-9-20-7-6-19(12,10-15)13-2-3-14(17-8-13)18-5-4-16-11-18;1-2-3-4(5)6/h2-5,8,11-12H,6-7,9H2,1H3;2-3H2,1H3,(H,5,6)/q+1;/p-1