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

Systemtic Name: [(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C23H33N2O5+ MolecularWeight: 417.51852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C)OC

InChI

InChI=1S/C23H32N2O5/c1-8-29-18-11-10-17(12-19(18)28-7)13-25(6)16(5)22(26)21-14(3)20(15(4)24-21)23(27)30-9-2/h10-12,16,24H,8-9,13H2,1-7H3/p+1/t16-/m1/s1