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

Systemtic Name: cyclopropyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(1S)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-13-19(22(26)28-5)14(2)23-20(13)21(25)15(3)24(17-8-9-17)12-16-6-10-18(27-4)11-7-16/h6-7,10-11,15,17,23H,8-9,12H2,1-5H3/p+1/t15-/m0/s1