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

Systemtic Name: 5-[5,6-dimethoxy-1-(phenylmethyl)benzimidazol-2-yl]pentylazanium Openeye Name: 5-(1-benzyl-5,6-dimethoxy-benzimidazol-2-yl)pentylammonium CAS Name: 5-[5,6-dimethoxy-1-(phenylmethyl)-2-benzimidazolyl]pentylammonium IUPAC Name: 5-(1-benzyl-5,6-dimethoxybenzimidazol-2-yl)pentylazanium Traditional Name: 5-(1-benzyl-5,6-dimethoxy-benzimidazol-2-yl)pentylammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=CC=C3)CCCCC[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=CC=C3)CCCCC[NH3+])OC

InChI

InChI=1S/C21H27N3O2/c1-25-19-13-17-18(14-20(19)26-2)24(15-16-9-5-3-6-10-16)21(23-17)11-7-4-8-12-22/h3,5-6,9-10,13-14H,4,7-8,11-12,15,22H2,1-2H3/p+1