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

Systemtic Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-[(2-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [(1S)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-[(2-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(2-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1S)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-methyl-o-anisyl-ammonium Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+](C)CC2=CC=CC=C2OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH+](C)CC2=CC=CC=C2OC)C

InChI

InChI=1S/C21H28N2O4/c1-7-27-21(25)18-13(2)19(22-14(18)3)20(24)15(4)23(5)12-16-10-8-9-11-17(16)26-6/h8-11,15,22H,7,12H2,1-6H3/p+1/t15-/m0/s1