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

Systemtic Name: 6-azanyl-2-ethyl-8-thiophen-3-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-ethyl-8-(3-thienyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-2-ethyl-8-(3-thiophenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-ethyl-8-thiophen-3-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-ethyl-8-(3-thienyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C18H18N5S+ MolecularWeight: 336.43402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5S/c1-2-23-5-3-13-14(7-19)17(22)18(10-20,11-21)16(15(13)8-23)12-4-6-24-9-12/h3-4,6,9,15-16H,2,5,8,22H2,1H3/p+1