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

Systemtic Name: [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: benzyl-[(1S)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3/c1-12-16(19(23)24-5)13(2)20-17(12)18(22)14(3)21(4)11-15-9-7-6-8-10-15/h6-10,14,20H,11H2,1-5H3/p+1/t14-/m0/s1