1-[(2,5-dimethylphenyl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(2,5-dimethylphenyl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2,5-dimethylphenyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-(2,5-dimethylbenzyl)pyridin-1-ium-3-carboxamide Formula: C15H17N2O+ MolecularWeight: 241.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C15H16N2O/c1-11-5-6-12(2)14(8-11)10-17-7-3-4-13(9-17)15(16)18/h3-9H,10H2,1-2H3,(H-,16,18)/p+1