1-methyl-1',1'-dioctadecyl-4-oxidanyl-spiro[2H-naphthalene-3,3'-aziridin-1-ium]-2'-one

Systemtic Name: 1-methyl-1',1'-dioctadecyl-4-oxidanyl-spiro[2H-naphthalene-3,3'-aziridin-1-ium]-2'-one Openeye Name: 4-hydroxy-1-methyl-1',1'-dioctadecyl-spiro[2H-naphthalene-3,3'-aziridin-1-ium]-2'-one CAS Name: 4-hydroxy-1-methyl-1',1'-dioctadecyl-2'-spiro[2H-naphthalene-3,3'-aziridin-1-ium]one IUPAC Name: 4-hydroxy-1-methyl-1',1'-dioctadecylspiro[2H-naphthalene-3,3'-aziridin-1-ium]-2'-one Traditional Name: 4-hydroxy-1-methyl-1',1'-distearyl-spiro[2H-naphthalene-3,3'-ethylenimin-1-ium]-2'-one Formula: C48H84NO2+ MolecularWeight: 707.18606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)C12CC(=C3C=CC=CC3=C2O)C)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)C12CC(=C3C=CC=CC3=C2O)C)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C48H83NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-40-49(47(51)48(49)42-43(3)44-38-34-35-39-45(44)46(48)50)41-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-35,38-39H,4-33,36-37,40-42H2,1-3H3/p+1