[(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-(5-ethanoyl-2-methoxy-phenyl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-(5-ethanoyl-2-methoxy-phenyl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-[(5-acetyl-2-methoxy-phenyl)methyl]-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2S)-3-(5-acetyl-2-methoxyphenyl)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-3-(5-acetyl-2-methoxyphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-(5-acetyl-2-methoxy-benzyl)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]-dimethyl-ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(CC3=C(C=CC(=C3)C(=O)C)OC)[NH+](C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](CC3=C(C=CC(=C3)C(=O)C)OC)[NH+](C)C

InChI

InChI=1S/C26H30N2O3/c1-17-14-23(18(2)28(17)22-10-8-7-9-11-22)26(30)24(27(4)5)16-21-15-20(19(3)29)12-13-25(21)31-6/h7-15,24H,16H2,1-6H3/p+1/t24-/m0/s1