2,2-dimethyl-1-[(2S)-2-[[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]methyl]pyrrolidin-1-yl]propan-1-one chloride

Systemtic Name: 2,2-dimethyl-1-[(2S)-2-[[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]methyl]pyrrolidin-1-yl]propan-1-one chloride Openeye Name: 2,2-dimethyl-1-[(2S)-2-[[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]methyl]pyrrolidin-1-yl]propan-1-one chloride CAS Name: 2,2-dimethyl-1-[(2S)-2-[[3-(2,4,6-trimethylphenyl)-1-imidazol-1-iumyl]methyl]-1-pyrrolidinyl]-1-propanone chloride IUPAC Name: 2,2-dimethyl-1-[(2S)-2-[[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]methyl]pyrrolidin-1-yl]propan-1-one chloride Traditional Name: 1-[(2S)-2-[(3-mesitylimidazol-1-ium-1-yl)methyl]pyrrolidino]-2,2-dimethyl-propan-1-one chloride Formula: C22H32ClN3O MolecularWeight: 389.96198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)CC3CCCN3C(=O)C(C)(C)C)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C[C@@H]3CCCN3C(=O)C(C)(C)C)C.[Cl-]

InChI

InChI=1S/C22H32N3O.ClH/c1-16-12-17(2)20(18(3)13-16)24-11-10-23(15-24)14-19-8-7-9-25(19)21(26)22(4,5)6;/h10-13,15,19H,7-9,14H2,1-6H3;1H/q+1;/p-1/t19-;/m0./s1