11-[(4-butylphenyl)amino]-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile

Systemtic Name: 11-[(4-butylphenyl)amino]-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Openeye Name: 11-(4-butylanilino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile CAS Name: 11-(4-butylanilino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile IUPAC Name: 11-(4-butylanilino)-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Traditional Name: 11-(4-butylanilino)-7,8,9,10-tetrahydro-5H-benzimidazol[1,2-b]isoquinolin-12-ium-6-carbonitrile Formula: C26H27N4+ MolecularWeight: 395.51938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C3CCCCC3=C(C4=[N+]2C5=CC=CC=C5N4)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C3CCCCC3=C(C4=[N+]2C5=CC=CC=C5N4)C#N

InChI

InChI=1S/C26H26N4/c1-2-3-8-18-13-15-19(16-14-18)28-25-21-10-5-4-9-20(21)22(17-27)26-29-23-11-6-7-12-24(23)30(25)26/h6-7,11-16H,2-5,8-10H2,1H3,(H,28,29)/p+1