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

Systemtic Name: 6-azanyl-2-propyl-8-thiophen-3-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-propyl-8-(3-thienyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-2-propyl-8-(3-thiophenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-propyl-8-thiophen-3-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-propyl-8-(3-thienyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C19H20N5S+ MolecularWeight: 350.4606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5S/c1-2-5-24-6-3-14-15(8-20)18(23)19(11-21,12-22)17(16(14)9-24)13-4-7-25-10-13/h3-4,7,10,16-17H,2,5-6,9,23H2,1H3/p+1