4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrrol-1-yl]benzonitrile CAS Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrrol-1-yl]benzonitrile Formula: C21H20N3+ MolecularWeight: 314.4036

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=CN3C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=CN3C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N3/c22-14-17-7-9-20(10-8-17)24-12-3-6-21(24)16-23-13-11-18-4-1-2-5-19(18)15-23/h1-10,12H,11,13,15-16H2/p+1