N-[3-[4-(2,2-dimethylbutyl)-2-methoxy-phenoxy]propyl]-1-oxidanyl-pyridin-1-ium-2-amine

Systemtic Name: N-[3-[4-(2,2-dimethylbutyl)-2-methoxy-phenoxy]propyl]-1-oxidanyl-pyridin-1-ium-2-amine Openeye Name: N-[3-[4-(2,2-dimethylbutyl)-2-methoxy-phenoxy]propyl]-1-hydroxy-pyridin-1-ium-2-amine CAS Name: N-[3-[4-(2,2-dimethylbutyl)-2-methoxyphenoxy]propyl]-1-hydroxy-2-pyridin-1-iumamine IUPAC Name: N-[3-[4-(2,2-dimethylbutyl)-2-methoxyphenoxy]propyl]-1-hydroxypyridin-1-ium-2-amine Traditional Name: 3-[4-(2,2-dimethylbutyl)-2-methoxy-phenoxy]propyl-(1-hydroxypyridin-1-ium-2-yl)amine Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-5-21(2,3)16-17-10-11-18(19(15-17)25-4)26-14-8-12-22-20-9-6-7-13-23(20)24/h6-7,9-11,13,15,24H,5,8,12,14,16H2,1-4H3/p+1