[(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [(1R)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [(1R)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C21H29N2O4+ MolecularWeight: 373.46596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+](C)CCOC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@@H](C)[NH+](C)CCOC2=CC=CC=C2)C

InChI

InChI=1S/C21H28N2O4/c1-6-26-21(25)18-14(2)19(22-15(18)3)20(24)16(4)23(5)12-13-27-17-10-8-7-9-11-17/h7-11,16,22H,6,12-13H2,1-5H3/p+1/t16-/m1/s1