3-[4-(1-methoxypropoxy)butyl]-1,3-thiazol-3-ium; 6-pentadecyl-1,3-oxazinan-2-one; bromide

Systemtic Name: 3-[4-(1-methoxypropoxy)butyl]-1,3-thiazol-3-ium; 6-pentadecyl-1,3-oxazinan-2-one; bromide Openeye Name: 3-[4-(1-methoxypropoxy)butyl]thiazol-3-ium; 6-pentadecyl-1,3-oxazinan-2-one; bromide CAS Name: 3-[4-(1-methoxypropoxy)butyl]thiazol-3-ium; 6-pentadecyl-1,3-oxazinan-2-one; bromide IUPAC Name: 3-[4-(1-methoxypropoxy)butyl]-1,3-thiazol-3-ium; 6-pentadecyl-1,3-oxazinan-2-one; bromide Traditional Name: 3-[4-(1-methoxypropoxy)butyl]thiazol-3-ium; 6-pentadecyl-1,3-oxazinan-2-one; bromide Formula: C30H57BrN2O4S MolecularWeight: 621.75358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1CCNC(=O)O1.CCC(OC)OCCCC[N+]1=CSC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1CCNC(=O)O1.CCC(OC)OCCCC[N+]1=CSC=C1.[Br-]

InChI

InChI=1S/C19H37NO2.C11H20NO2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-20-19(21)22-18;1-3-11(13-2)14-8-5-4-6-12-7-9-15-10-12;/h18H,2-17H2,1H3,(H,20,21);7,9-11H,3-6,8H2,1-2H3;1H/q;+1;/p-1