3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-2-methyl-1H-benzimidazol-3-ium

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-2-methyl-1H-benzimidazol-3-ium Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methyl-1H-benzimidazol-3-ium CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methyl-1H-benzimidazol-3-ium IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methyl-1H-benzimidazol-3-ium Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methyl-1H-benzimidazol-3-ium Formula: C17H16ClN2O2+ MolecularWeight: 315.77414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1)CC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1)CC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C17H15ClN2O2/c1-11-19-15-4-2-3-5-16(15)20(11)8-12-6-14(18)7-13-9-21-10-22-17(12)13/h2-7H,8-10H2,1H3/p+1