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

Systemtic Name: 11-(pentylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Openeye Name: 11-(pentylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile CAS Name: 11-(pentylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile IUPAC Name: 11-(pentylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Traditional Name: 11-(amylamino)-7,8,9,10-tetrahydro-5H-benzimidazol[1,2-b]isoquinolin-12-ium-6-carbonitrile Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C2CCCCC2=C(C3=[N+]1C4=CC=CC=C4N3)C#N

Isomeric SMILES

CCCCCNC1=C2CCCCC2=C(C3=[N+]1C4=CC=CC=C4N3)C#N

InChI

InChI=1S/C21H24N4/c1-2-3-8-13-23-20-16-10-5-4-9-15(16)17(14-22)21-24-18-11-6-7-12-19(18)25(20)21/h6-7,11-12H,2-5,8-10,13H2,1H3,(H,23,24)/p+1