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

Systemtic Name: [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[NH+](C)CC2=CN(N=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3/c1-10-14(17(23)24-6)11(2)19-15(10)16(22)12(3)20(4)8-13-7-18-21(5)9-13/h7,9,12,19H,8H2,1-6H3/p+1/t12-/m0/s1