dihydrogen phosphate; N-[4-[4-(3-heptylimidazol-3-ium-1-yl)butyl]phenyl]methanesulfonamide

Systemtic Name: dihydrogen phosphate; N-[4-[4-(3-heptylimidazol-3-ium-1-yl)butyl]phenyl]methanesulfonamide Openeye Name: dihydrogen phosphate; N-[4-[4-(3-heptylimidazol-3-ium-1-yl)butyl]phenyl]methanesulfonamide CAS Name: dihydrogen phosphate; N-[4-[4-(3-heptyl-1-imidazol-3-iumyl)butyl]phenyl]methanesulfonamide IUPAC Name: dihydrogen phosphate; N-[4-[4-(3-heptylimidazol-3-ium-1-yl)butyl]phenyl]methanesulfonamide Traditional Name: dihydrogen phosphate; N-[4-[4-(3-heptylimidazol-3-ium-1-yl)butyl]phenyl]methanesulfonamide Formula: C21H36N3O6PS MolecularWeight: 489.565801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CN(C=C1)CCCCC2=CC=C(C=C2)NS(=O)(=O)C.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCC[N+]1=CN(C=C1)CCCCC2=CC=C(C=C2)NS(=O)(=O)C.OP(=O)(O)[O-]

InChI

InChI=1S/C21H34N3O2S.H3O4P/c1-3-4-5-6-8-15-23-17-18-24(19-23)16-9-7-10-20-11-13-21(14-12-20)22-27(2,25)26;1-5(2,3)4/h11-14,17-19,22H,3-10,15-16H2,1-2H3;(H3,1,2,3,4)/q+1;/p-1