1-azanyl-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carbonitrile

Systemtic Name: 1-azanyl-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carbonitrile Openeye Name: 1-amino-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carbonitrile CAS Name: 1-amino-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carbonitrile IUPAC Name: 1-amino-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carbonitrile Traditional Name: 1-amino-5-phenethyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carbonitrile Formula: C20H20N3S+ MolecularWeight: 334.4579

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C3C(=C(SC3=[NH+]C(=C2C1)CCC4=CC=CC=C4)C#N)N

Isomeric SMILES

C1CCC2=C3C(=C(SC3=[NH+]C(=C2C1)CCC4=CC=CC=C4)C#N)N

InChI

InChI=1S/C20H19N3S/c21-12-17-19(22)18-15-9-5-4-8-14(15)16(23-20(18)24-17)11-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11,22H2/p+1