1-[4-(2,4-dipentylphenoxy)butyl]pyridin-1-ium

Systemtic Name: 1-[4-(2,4-dipentylphenoxy)butyl]pyridin-1-ium Openeye Name: 1-[4-(2,4-dipentylphenoxy)butyl]pyridin-1-ium CAS Name: 1-[4-(2,4-dipentylphenoxy)butyl]pyridin-1-ium IUPAC Name: 1-[4-(2,4-dipentylphenoxy)butyl]pyridin-1-ium Traditional Name: 1-[4-(2,4-diamylphenoxy)butyl]pyridin-1-ium Formula: C25H38NO+ MolecularWeight: 368.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCCC[N+]2=CC=CC=C2)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCC[N+]2=CC=CC=C2)CCCCC

InChI

InChI=1S/C25H38NO/c1-3-5-8-14-23-16-17-25(24(22-23)15-9-6-4-2)27-21-13-12-20-26-18-10-7-11-19-26/h7,10-11,16-19,22H,3-6,8-9,12-15,20-21H2,1-2H3/q+1