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

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(4-isopropylbenzyl)-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(C)[NH+](C)CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2/c1-13(2)19-10-8-18(9-11-19)12-24(7)16(5)22(26)21-14(3)20(17(6)25)15(4)23-21/h8-11,13,16,23H,12H2,1-7H3/p+1/t16-/m0/s1