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

Systemtic Name: [(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(4-ethoxybenzyl)-methyl-ammonium Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C22H30N2O4/c1-7-27-18-11-9-17(10-12-18)13-24(6)16(5)21(25)20-14(3)19(15(4)23-20)22(26)28-8-2/h9-12,16,23H,7-8,13H2,1-6H3/p+1/t16-/m1/s1