(4-tert-butylphenyl)methyl-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylammonium IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-(4-tert-butylbenzyl)-methyl-ammonium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H30N2O2/c1-14-20(16(3)25)15(2)23-21(14)19(26)13-24(7)12-17-8-10-18(11-9-17)22(4,5)6/h8-11,23H,12-13H2,1-7H3/p+1