N-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethyl]pyridin-1-ium-2-amine

Systemtic Name: N-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethyl]pyridin-1-ium-2-amine Openeye Name: N-[2-(4-chloro-3,5-dimethyl-phenoxy)ethyl]pyridin-1-ium-2-amine CAS Name: N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]pyridin-1-ium-2-amine Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)ethyl-pyridin-1-ium-2-yl-amine Formula: C15H18ClN2O+ MolecularWeight: 277.76922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCNC2=CC=CC=[NH+]2

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCNC2=CC=CC=[NH+]2

InChI

InChI=1S/C15H17ClN2O/c1-11-9-13(10-12(2)15(11)16)19-8-7-18-14-5-3-4-6-17-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)/p+1