(8aR)-6-azanylidene-2-ethyl-8-(1-ethylpiperidin-1-ium-4-ylidene)-1,2,3,8a-tetrahydroisoquinolin-2-ium-5,5,7-tricarbonitrile

Systemtic Name: (8aR)-6-azanylidene-2-ethyl-8-(1-ethylpiperidin-1-ium-4-ylidene)-1,2,3,8a-tetrahydroisoquinolin-2-ium-5,5,7-tricarbonitrile Openeye Name: (8aR)-2-ethyl-8-(1-ethylpiperidin-1-ium-4-ylidene)-6-imino-1,2,3,8a-tetrahydroisoquinolin-2-ium-5,5,7-tricarbonitrile CAS Name: (8aR)-2-ethyl-8-(1-ethyl-4-piperidin-1-iumylidene)-6-imino-1,2,3,8a-tetrahydroisoquinolin-2-ium-5,5,7-tricarbonitrile IUPAC Name: (8aR)-2-ethyl-8-(1-ethylpiperidin-1-ium-4-ylidene)-6-imino-1,2,3,8a-tetrahydroisoquinolin-2-ium-5,5,7-tricarbonitrile Traditional Name: (8aR)-2-ethyl-8-(1-ethylpiperidin-1-ium-4-ylidene)-6-imino-1,2,3,8a-tetrahydroisoquinolin-2-ium-5,5,7-tricarbonitrile Formula: C21H28N6+2 MolecularWeight: 364.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(=C2C3C[NH+](CC=C3C(C(=N)C2C#N)(C#N)C#N)CC)CC1

Isomeric SMILES

CC[NH+]1CCC(=C2[C@H]3C[NH+](CC=C3C(C(=N)C2C#N)(C#N)C#N)CC)CC1

InChI

InChI=1S/C21H26N6/c1-3-26-8-5-15(6-9-26)19-16(11-22)20(25)21(13-23,14-24)18-7-10-27(4-2)12-17(18)19/h7,16-17,25H,3-6,8-10,12H2,1-2H3/p+2/t16?,17-/m0/s1