N-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]pyridin-1-ium-2-amine

Systemtic Name: N-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]pyridin-1-ium-2-amine Openeye Name: N-[3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]pyridin-1-ium-2-amine CAS Name: N-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-2-pyridin-1-iumamine IUPAC Name: N-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]pyridin-1-ium-2-amine Traditional Name: pyridin-1-ium-2-yl-[3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]amine Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCNC2=CC=CC=[NH+]2

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCNC2=CC=CC=[NH+]2

InChI

InChI=1S/C22H32N2O/c1-21(2,3)17-22(4,5)18-10-12-19(13-11-18)25-16-8-15-24-20-9-6-7-14-23-20/h6-7,9-14H,8,15-17H2,1-5H3,(H,23,24)/p+1