4-(4-chloranyl-3-methyl-phenoxy)pyridin-1-ium-3-amine

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)pyridin-1-ium-3-amine Openeye Name: 4-(4-chloro-3-methyl-phenoxy)pyridin-1-ium-3-amine CAS Name: 4-(4-chloro-3-methylphenoxy)-3-pyridin-1-iumamine IUPAC Name: 4-(4-chloro-3-methylphenoxy)pyridin-1-ium-3-amine Traditional Name: [4-(4-chloro-3-methyl-phenoxy)pyridin-1-ium-3-yl]amine Formula: C12H12ClN2O+ MolecularWeight: 235.68948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=[NH+]C=C2)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=[NH+]C=C2)N)Cl

InChI

InChI=1S/C12H11ClN2O/c1-8-6-9(2-3-10(8)13)16-12-4-5-15-7-11(12)14/h2-7H,14H2,1H3/p+1