3-[4-[heptyl(methyl)amino]phenyl]propane-1-sulfonate

Systemtic Name: 3-[4-[heptyl(methyl)amino]phenyl]propane-1-sulfonate Openeye Name: 3-[4-[heptyl(methyl)amino]phenyl]propane-1-sulfonate CAS Name: 3-[4-[heptyl(methyl)amino]phenyl]-1-propanesulfonate IUPAC Name: 3-[4-[heptyl(methyl)amino]phenyl]propane-1-sulfonate Traditional Name: 3-[4-[heptyl(methyl)amino]phenyl]propane-1-sulfonate Formula: C17H28NO3S- MolecularWeight: 326.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C)C1=CC=C(C=C1)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCN(C)C1=CC=C(C=C1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C17H29NO3S/c1-3-4-5-6-7-14-18(2)17-12-10-16(11-13-17)9-8-15-22(19,20)21/h10-13H,3-9,14-15H2,1-2H3,(H,19,20,21)/p-1