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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C20H26N2O3/c1-12-7-9-16(10-8-12)11-22(5)15(4)19(23)18-13(2)17(14(3)21-18)20(24)25-6/h7-10,15,21H,11H2,1-6H3/p+1/t15-/m1/s1