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

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-[(1R)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(4,5-dimethoxy-2-methyl-benzyl)-methyl-ammonium Formula: C22H31N2O5+ MolecularWeight: 403.49194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C)OC)OC

InChI

InChI=1S/C22H30N2O5/c1-12-9-17(27-6)18(28-7)10-16(12)11-24(5)15(4)21(25)20-13(2)19(14(3)23-20)22(26)29-8/h9-10,15,23H,11H2,1-8H3/p+1/t15-/m1/s1