N-[3-[4-(2-ethyl-2-methyl-but-3-enyl)phenoxy]propyl]-1-oxidanyl-pyridin-1-ium-2-amine

Systemtic Name: N-[3-[4-(2-ethyl-2-methyl-but-3-enyl)phenoxy]propyl]-1-oxidanyl-pyridin-1-ium-2-amine Openeye Name: N-[3-[4-(2-ethyl-2-methyl-but-3-enyl)phenoxy]propyl]-1-hydroxy-pyridin-1-ium-2-amine CAS Name: N-[3-[4-(2-ethyl-2-methylbut-3-enyl)phenoxy]propyl]-1-hydroxy-2-pyridin-1-iumamine IUPAC Name: N-[3-[4-(2-ethyl-2-methylbut-3-enyl)phenoxy]propyl]-1-hydroxypyridin-1-ium-2-amine Traditional Name: 3-[4-(2-ethyl-2-methyl-but-3-enyl)phenoxy]propyl-(1-hydroxypyridin-1-ium-2-yl)amine Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC1=CC=C(C=C1)OCCCNC2=CC=CC=[N+]2O)C=C

Isomeric SMILES

CCC(C)(CC1=CC=C(C=C1)OCCCNC2=CC=CC=[N+]2O)C=C

InChI

InChI=1S/C21H28N2O2/c1-4-21(3,5-2)17-18-10-12-19(13-11-18)25-16-8-14-22-20-9-6-7-15-23(20)24/h4,6-7,9-13,15,24H,1,5,8,14,16-17H2,2-3H3/p+1