[(2R)-1-(4-ethanoyl-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-ethanoyl-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-acetyl-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-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C22H31N2O4+ MolecularWeight: 387.49254

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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)C)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)C)C)OC

InChI

InChI=1S/C22H30N2O4/c1-8-28-18-10-9-17(11-19(18)27-7)12-24(6)15(4)22(26)21-13(2)20(16(5)25)14(3)23-21/h9-11,15,23H,8,12H2,1-7H3/p+1/t15-/m1/s1