4-[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]butane-1-sulfonic acid Openeye Name: 4-[3-(2,6-diisopropylphenyl)imidazol-1-ium-1-yl]butane-1-sulfonic acid CAS Name: 4-[3-[2,6-di(propan-2-yl)phenyl]-1-imidazol-1-iumyl]-1-butanesulfonic acid IUPAC Name: 4-[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]butane-1-sulfonic acid Traditional Name: 4-[3-(2,6-diisopropylphenyl)imidazol-1-ium-1-yl]butane-1-sulfonic acid Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)CCCCS(=O)(=O)O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)CCCCS(=O)(=O)O

InChI

InChI=1S/C19H28N2O3S/c1-15(2)17-8-7-9-18(16(3)4)19(17)21-12-11-20(14-21)10-5-6-13-25(22,23)24/h7-9,11-12,14-16H,5-6,10,13H2,1-4H3/p+1