[4-methyl-1-phenylmethoxy-7-(phenylmethoxymethyl)-1,2,3,5-tetrahydropyrrolizin-4-ium-8-yl] hydrogen sulfate

Systemtic Name: [4-methyl-1-phenylmethoxy-7-(phenylmethoxymethyl)-1,2,3,5-tetrahydropyrrolizin-4-ium-8-yl] hydrogen sulfate Openeye Name: [1-benzyloxy-7-(benzyloxymethyl)-4-methyl-1,2,3,5-tetrahydropyrrolizin-4-ium-8-yl] hydrogen sulfate CAS Name: sulfuric acid [4-methyl-1-phenylmethoxy-7-(phenylmethoxymethyl)-1,2,3,5-tetrahydropyrrolizin-4-ium-8-yl] ester IUPAC Name: [4-methyl-1-phenylmethoxy-7-(phenylmethoxymethyl)-1,2,3,5-tetrahydropyrrolizin-4-ium-8-yl] hydrogen sulfate Traditional Name: sulfuric acid [1-benzoxy-7-(benzoxymethyl)-4-methyl-1,2,3,5-tetrahydropyrrolizin-4-ium-8-yl] ester Formula: C23H28NO6S+ MolecularWeight: 446.53652

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(C1(C(=CC2)COCC3=CC=CC=C3)OS(=O)(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]12CCC(C1(C(=CC2)COCC3=CC=CC=C3)OS(=O)(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H27NO6S/c1-24-14-12-21(18-28-16-19-8-4-2-5-9-19)23(24,30-31(25,26)27)22(13-15-24)29-17-20-10-6-3-7-11-20/h2-12,22H,13-18H2,1H3/p+1