11-(2-methylpropylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile

Systemtic Name: 11-(2-methylpropylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Openeye Name: 11-(isobutylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile CAS Name: 11-(2-methylpropylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile IUPAC Name: 11-(2-methylpropylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Traditional Name: 11-(isobutylamino)-7,8,9,10-tetrahydro-5H-benzimidazol[1,2-b]isoquinolin-12-ium-6-carbonitrile Formula: C20H23N4+ MolecularWeight: 319.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C2CCCCC2=C(C3=[N+]1C4=CC=CC=C4N3)C#N

Isomeric SMILES

CC(C)CNC1=C2CCCCC2=C(C3=[N+]1C4=CC=CC=C4N3)C#N

InChI

InChI=1S/C20H22N4/c1-13(2)12-22-19-15-8-4-3-7-14(15)16(11-21)20-23-17-9-5-6-10-18(17)24(19)20/h5-6,9-10,13H,3-4,7-8,12H2,1-2H3,(H,22,23)/p+1