(2S,7aS)-3-azanylidene-4-piperidin-1-ium-1-yl-5,6,7,7a-tetrahydro-2H-indene-1,1,2-tricarbonitrile

Systemtic Name: (2S,7aS)-3-azanylidene-4-piperidin-1-ium-1-yl-5,6,7,7a-tetrahydro-2H-indene-1,1,2-tricarbonitrile Openeye Name: (2S,7aS)-3-imino-4-piperidin-1-ium-1-yl-5,6,7,7a-tetrahydro-2H-indene-1,1,2-tricarbonitrile CAS Name: (2S,7aS)-3-imino-4-(1-piperidin-1-iumyl)-5,6,7,7a-tetrahydro-2H-indene-1,1,2-tricarbonitrile IUPAC Name: (2S,7aS)-3-imino-4-piperidin-1-ium-1-yl-5,6,7,7a-tetrahydro-2H-indene-1,1,2-tricarbonitrile Traditional Name: (2S,7aS)-3-imino-4-piperidin-1-ium-1-yl-5,6,7,7a-tetrahydro-2H-indene-1,1,2-tricarbonitrile Formula: C17H20N5+ MolecularWeight: 294.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=C3C(CCC2)C(C(C3=N)C#N)(C#N)C#N

Isomeric SMILES

C1CC[NH+](CC1)C2=C3[C@H](CCC2)C([C@@H](C3=N)C#N)(C#N)C#N

InChI

InChI=1S/C17H19N5/c18-9-13-16(21)15-12(17(13,10-19)11-20)5-4-6-14(15)22-7-2-1-3-8-22/h12-13,21H,1-8H2/p+1/t12-,13+/m0/s1