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

Systemtic Name: (2,4-dimethylphenyl)methyl-[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(2,4-dimethylphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(2,4-dimethylphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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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)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-12-8-9-18(13(2)10-12)11-23(7)16(5)21(25)20-14(3)19(17(6)24)15(4)22-20/h8-10,16,22H,11H2,1-7H3/p+1/t16-/m1/s1