(4aR,8aS)-2-azanyl-8a-morpholin-4-ium-4-yl-5,6,7,8-tetrahydro-4aH-chromene-3,4,4-tricarbonitrile

Systemtic Name: (4aR,8aS)-2-azanyl-8a-morpholin-4-ium-4-yl-5,6,7,8-tetrahydro-4aH-chromene-3,4,4-tricarbonitrile Openeye Name: (4aR,8aS)-2-amino-8a-morpholin-4-ium-4-yl-5,6,7,8-tetrahydro-4aH-chromene-3,4,4-tricarbonitrile CAS Name: (4aR,8aS)-2-amino-8a-(4-morpholin-4-iumyl)-5,6,7,8-tetrahydro-4aH-1-benzopyran-3,4,4-tricarbonitrile IUPAC Name: (4aR,8aS)-2-amino-8a-morpholin-4-ium-4-yl-5,6,7,8-tetrahydro-4aH-chromene-3,4,4-tricarbonitrile Traditional Name: (4aR,8aS)-2-amino-8a-morpholin-4-ium-4-yl-5,6,7,8-tetrahydro-4aH-chromene-3,4,4-tricarbonitrile Formula: C16H20N5O2+ MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)C(C(=C(O2)N)C#N)(C#N)C#N)[NH+]3CCOCC3

Isomeric SMILES

C1CC[C@]2([C@H](C1)C(C(=C(O2)N)C#N)(C#N)C#N)[NH+]3CCOCC3

InChI

InChI=1S/C16H19N5O2/c17-9-12-14(20)23-16(21-5-7-22-8-6-21)4-2-1-3-13(16)15(12,10-18)11-19/h13H,1-8,20H2/p+1/t13-,16+/m1/s1