[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](C)CC2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](C)CC2=CC=C(C=C2)C)C

InChI

InChI=1S/C20H26N2O3/c1-6-25-20(24)18-14(3)19(21-15(18)4)17(23)12-22(5)11-16-9-7-13(2)8-10-16/h7-10,21H,6,11-12H2,1-5H3/p+1