dimethyl-[2-oxidanyl-3-[(2,4,6-trimethylphenyl)amino]propyl]-propan-2-yl-azanium iodide

Systemtic Name: dimethyl-[2-oxidanyl-3-[(2,4,6-trimethylphenyl)amino]propyl]-propan-2-yl-azanium iodide Openeye Name: [2-hydroxy-3-(2,4,6-trimethylanilino)propyl]-isopropyl-dimethyl-ammonium iodide CAS Name: [2-hydroxy-3-(2,4,6-trimethylanilino)propyl]-dimethyl-propan-2-ylammonium iodide IUPAC Name: [2-hydroxy-3-(2,4,6-trimethylanilino)propyl]-dimethyl-propan-2-ylazanium iodide Traditional Name: (2-hydroxy-3-mesidino-propyl)-isopropyl-dimethyl-ammonium iodide Formula: C17H31IN2O MolecularWeight: 406.34531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NCC(C[N+](C)(C)C(C)C)O)C.[I-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NCC(C[N+](C)(C)C(C)C)O)C.[I-]

InChI

InChI=1S/C17H31N2O.HI/c1-12(2)19(6,7)11-16(20)10-18-17-14(4)8-13(3)9-15(17)5;/h8-9,12,16,18,20H,10-11H2,1-7H3;1H/q+1;/p-1