6-azanyl-2-methyl-8-thiophen-2-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2-methyl-8-thiophen-2-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-methyl-8-(2-thienyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-2-methyl-8-thiophen-2-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-methyl-8-thiophen-2-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-methyl-8-(2-thienyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C17H16N5S+ MolecularWeight: 322.40744

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3

Isomeric SMILES

C[NH+]1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3

InChI

InChI=1S/C17H15N5S/c1-22-5-4-11-12(7-18)16(21)17(9-19,10-20)15(13(11)8-22)14-3-2-6-23-14/h2-4,6,13,15H,5,8,21H2,1H3/p+1