1-[(3,4-dichlorophenyl)methylamino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[(3,4-dichlorophenyl)methylamino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[(3,4-dichlorophenyl)methylamino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[(3,4-dichlorophenyl)methylamino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[(3,4-dichlorophenyl)methylamino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[(3,4-dichlorobenzyl)amino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H19Cl2N4+ MolecularWeight: 410.31906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2N4/c1-2-5-15-11-21(26-13-14-8-9-17(23)18(24)10-14)28-20-7-4-3-6-19(20)27-22(28)16(15)12-25/h3-4,6-11H,2,5,13H2,1H3,(H,26,27)/p+1