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

Systemtic Name: 11-[(phenylmethyl)amino]-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Openeye Name: 11-(benzylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile CAS Name: 11-[(phenylmethyl)amino]-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile IUPAC Name: 11-(benzylamino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Traditional Name: 11-(benzylamino)-7,8,9,10-tetrahydro-5H-benzimidazol[1,2-b]isoquinolin-12-ium-6-carbonitrile Formula: C23H21N4+ MolecularWeight: 353.43964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([N+]3=C(C(=C2C1)C#N)NC4=CC=CC=C43)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C([N+]3=C(C(=C2C1)C#N)NC4=CC=CC=C43)NCC5=CC=CC=C5

InChI

InChI=1S/C23H20N4/c24-14-19-17-10-4-5-11-18(17)22(25-15-16-8-2-1-3-9-16)27-21-13-7-6-12-20(21)26-23(19)27/h1-3,6-9,12-13H,4-5,10-11,15H2,(H,25,26)/p+1