5-[5,6-dimethyl-1-(phenylmethyl)benzimidazol-2-yl]pentylazanium

Systemtic Name: 5-[5,6-dimethyl-1-(phenylmethyl)benzimidazol-2-yl]pentylazanium Openeye Name: 5-(1-benzyl-5,6-dimethyl-benzimidazol-2-yl)pentylammonium CAS Name: 5-[5,6-dimethyl-1-(phenylmethyl)-2-benzimidazolyl]pentylammonium IUPAC Name: 5-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)pentylazanium Traditional Name: 5-(1-benzyl-5,6-dimethyl-benzimidazol-2-yl)pentylammonium Formula: C21H28N3+ MolecularWeight: 322.46712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CCCCC[NH3+])CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCCCC[NH3+])CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3/c1-16-13-19-20(14-17(16)2)24(15-18-9-5-3-6-10-18)21(23-19)11-7-4-8-12-22/h3,5-6,9-10,13-14H,4,7-8,11-12,15,22H2,1-2H3/p+1