[1-methyl-1-oxidanidyl-5-phenyl-4-(propan-2-ylcarbamoyloxymethyl)-2,5-dihydropyrrol-1-ium-3-yl]methyl N-propan-2-ylcarbamate

Systemtic Name: [1-methyl-1-oxidanidyl-5-phenyl-4-(propan-2-ylcarbamoyloxymethyl)-2,5-dihydropyrrol-1-ium-3-yl]methyl N-propan-2-ylcarbamate Openeye Name: [4-(isopropylcarbamoyloxymethyl)-1-methyl-1-oxido-5-phenyl-2,5-dihydropyrrol-1-ium-3-yl]methyl N-isopropylcarbamate CAS Name: N-propan-2-ylcarbamic acid [1-methyl-1-oxido-4-[[oxo-(propan-2-ylamino)methoxy]methyl]-5-phenyl-2,5-dihydropyrrol-1-ium-3-yl]methyl ester IUPAC Name: [1-methyl-1-oxido-5-phenyl-4-(propan-2-ylcarbamoyloxymethyl)-2,5-dihydropyrrol-1-ium-3-yl]methyl N-propan-2-ylcarbamate Traditional Name: N-isopropylcarbamic acid [4-(isopropylcarbamoyloxymethyl)-1-methyl-1-oxido-5-phenyl-3-pyrrolin-1-ium-3-yl]methyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)OCC1=C(C([N+](C1)(C)[O-])C2=CC=CC=C2)COC(=O)NC(C)C

Isomeric SMILES

CC(C)NC(=O)OCC1=C(C([N+](C1)(C)[O-])C2=CC=CC=C2)COC(=O)NC(C)C

InChI

InChI=1S/C21H31N3O5/c1-14(2)22-20(25)28-12-17-11-24(5,27)19(16-9-7-6-8-10-16)18(17)13-29-21(26)23-15(3)4/h6-10,14-15,19H,11-13H2,1-5H3,(H,22,25)(H,23,26)