1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-3-oxidanidyl-benzimidazol-3-ium

Systemtic Name: 1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-3-oxidanidyl-benzimidazol-3-ium Openeye Name: 1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3-oxido-benzimidazol-3-ium CAS Name: 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-oxidobenzimidazol-3-ium IUPAC Name: 1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-3-oxidobenzimidazol-3-ium Traditional Name: 1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3-oxido-benzimidazol-3-ium Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CN2C=[N+](C3=CC=CC=C32)[O-]

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2C=[N+](C3=CC=CC=C32)[O-]

InChI

InChI=1S/C16H17N3O2/c1-11-8-17-13(12(2)16(11)21-3)9-18-10-19(20)15-7-5-4-6-14(15)18/h4-8,10H,9H2,1-3H3