4-[3-(7-phenylheptyl)imidazol-3-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[3-(7-phenylheptyl)imidazol-3-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[3-(7-phenylheptyl)imidazol-3-ium-1-yl]butane-1-sulfonate CAS Name: 4-[3-(7-phenylheptyl)-1-imidazol-3-iumyl]-1-butanesulfonate IUPAC Name: 4-[3-(7-phenylheptyl)imidazol-3-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[3-(7-phenylheptyl)imidazol-3-ium-1-yl]butane-1-sulfonate Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC[N+]2=CN(C=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC[N+]2=CN(C=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C20H30N2O3S/c23-26(24,25)18-10-9-15-22-17-16-21(19-22)14-8-3-1-2-5-11-20-12-6-4-7-13-20/h4,6-7,12-13,16-17,19H,1-3,5,8-11,14-15,18H2