3-[3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]indol-1-yl]propionitrile Formula: C22H22N3O+ MolecularWeight: 344.42958

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H21N3O/c23-11-5-12-25-15-20(19-8-3-4-9-21(19)25)22(26)16-24-13-10-17-6-1-2-7-18(17)14-24/h1-4,6-9,15H,5,10,12-14,16H2/p+1