6-azanyl-8-(4-chloranylthiophen-2-yl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(4-chloranylthiophen-2-yl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(4-chloro-2-thienyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(4-chloro-2-thiophenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(4-chlorothiophen-2-yl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(4-chloro-2-thienyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C17H15ClN5S+ MolecularWeight: 356.8525

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5S/c1-23-3-2-11-12(5-19)16(22)17(8-20,9-21)15(13(11)6-23)14-4-10(18)7-24-14/h2,4,7,13,15H,3,6,22H2,1H3/p+1