1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-1-yl]propan-2-ol

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-1-yl]propan-2-ol Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-1-yl]propan-2-ol CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[1-[(4-nitrophenyl)methyl]-1-pyrrolidin-1-iumyl]-2-propanol IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-1-yl]propan-2-ol Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[1-(4-nitrobenzyl)pyrrolidin-1-ium-1-yl]propan-2-ol Formula: C23H29N2O6+ MolecularWeight: 429.48616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC2=CC=C(C=C2)[N+](=O)[O-])CC(COCC3COC4=CC=CC=C4O3)O

Isomeric SMILES

C1CC[N+](C1)(CC2=CC=C(C=C2)[N+](=O)[O-])CC(COCC3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C23H29N2O6/c26-20(15-29-16-21-17-30-22-5-1-2-6-23(22)31-21)14-25(11-3-4-12-25)13-18-7-9-19(10-8-18)24(27)28/h1-2,5-10,20-21,26H,3-4,11-17H2/q+1