11-[(3-methoxyphenyl)amino]-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile

Systemtic Name: 11-[(3-methoxyphenyl)amino]-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Openeye Name: 11-(3-methoxyanilino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile CAS Name: 11-(3-methoxyanilino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile IUPAC Name: 11-(3-methoxyanilino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Traditional Name: 11-(m-anisidino)-7,8,9,10-tetrahydro-5H-benzimidazol[1,2-b]isoquinolin-12-ium-6-carbonitrile Formula: C23H21N4O+ MolecularWeight: 369.43904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C3CCCCC3=C(C4=[N+]2C5=CC=CC=C5N4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C3CCCCC3=C(C4=[N+]2C5=CC=CC=C5N4)C#N

InChI

InChI=1S/C23H20N4O/c1-28-16-8-6-7-15(13-16)25-22-18-10-3-2-9-17(18)19(14-24)23-26-20-11-4-5-12-21(20)27(22)23/h4-8,11-13H,2-3,9-10H2,1H3,(H,25,26)/p+1