2-[1-(3-azanylpropyl)pyrrolidin-1-ium-1-yl]-1-[2,2-dimethyl-4-(3-nonoxypropoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanol

Systemtic Name: 2-[1-(3-azanylpropyl)pyrrolidin-1-ium-1-yl]-1-[2,2-dimethyl-4-(3-nonoxypropoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanol Openeye Name: 2-[1-(3-aminopropyl)pyrrolidin-1-ium-1-yl]-1-[2,2-dimethyl-4-(3-nonoxypropoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanol CAS Name: 2-[1-(3-aminopropyl)-1-pyrrolidin-1-iumyl]-1-[2,2-dimethyl-4-(3-nonoxypropoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanol IUPAC Name: 2-[1-(3-aminopropyl)pyrrolidin-1-ium-1-yl]-1-[2,2-dimethyl-4-(3-nonoxypropoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanol Traditional Name: 2-[1-(3-aminopropyl)pyrrolidin-1-ium-1-yl]-1-[2,2-dimethyl-4-(3-nonoxypropoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanol Formula: C28H55N2O6+ MolecularWeight: 515.7461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOCCCOC1C2C(C(O1)C(C[N+]3(CCCC3)CCCN)O)OC(O2)(C)C

Isomeric SMILES

CCCCCCCCCOCCCOC1C2C(C(O1)C(C[N+]3(CCCC3)CCCN)O)OC(O2)(C)C

InChI

InChI=1S/C28H55N2O6/c1-4-5-6-7-8-9-12-19-32-20-14-21-33-27-26-25(35-28(2,3)36-26)24(34-27)23(31)22-30(18-13-15-29)16-10-11-17-30/h23-27,31H,4-22,29H2,1-3H3/q+1