3-azanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-azanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-amino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-amino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-amino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-amino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C10H12N3+ MolecularWeight: 174.22238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=[NH+]C=C2C1)N)C#N

Isomeric SMILES

C1CCC2=C(C(=[NH+]C=C2C1)N)C#N

InChI

InChI=1S/C10H11N3/c11-5-9-8-4-2-1-3-7(8)6-13-10(9)12/h6H,1-4H2,(H2,12,13)/p+1