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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(1R)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C22H31N2O5+ MolecularWeight: 403.49194

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)OC)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)OC)C)OC

InChI

InChI=1S/C22H30N2O5/c1-8-29-17-10-9-16(11-18(17)27-6)12-24(5)15(4)21(25)20-13(2)19(14(3)23-20)22(26)28-7/h9-11,15,23H,8,12H2,1-7H3/p+1/t15-/m1/s1