1-[3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl]-N,N-dimethyl-pyridin-1-ium-4-amine

Systemtic Name: 1-[3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl]-N,N-dimethyl-pyridin-1-ium-4-amine Openeye Name: 1-[3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl]-N,N-dimethyl-pyridin-1-ium-4-amine CAS Name: 1-[3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl]-N,N-dimethyl-4-pyridin-1-iumamine IUPAC Name: 1-[3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl]-N,N-dimethylpyridin-1-ium-4-amine Traditional Name: [1-[3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl]pyridin-1-ium-4-yl]-dimethyl-amine Formula: C22H25N2+ MolecularWeight: 317.4473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC=CC=C1C#CC[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)(C)C#CC1=CC=CC=C1C#CC[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C22H25N2/c1-22(2,3)15-12-20-10-7-6-9-19(20)11-8-16-24-17-13-21(14-18-24)23(4)5/h6-7,9-10,13-14,17-18H,16H2,1-5H3/q+1