cyclopropyl-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+](CC2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+](CC2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C22H28N2O3/c1-13-20(16(4)25)14(2)23-21(13)22(26)15(3)24(18-8-9-18)12-17-6-10-19(27-5)11-7-17/h6-7,10-11,15,18,23H,8-9,12H2,1-5H3/p+1/t15-/m0/s1