3-sulfoheptadecan-4-ylazanium

Systemtic Name: 3-sulfoheptadecan-4-ylazanium Openeye Name: 1-(1-sulfopropyl)tetradecylammonium CAS Name: 3-sulfoheptadecan-4-ylammonium IUPAC Name: 3-sulfoheptadecan-4-ylazanium Traditional Name: 1-(1-sulfopropyl)tetradecylammonium Formula: C17H38NO3S+ MolecularWeight: 336.55352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(CC)S(=O)(=O)O)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCCC(C(CC)S(=O)(=O)O)[NH3+]

InChI

InChI=1S/C17H37NO3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(18)17(4-2)22(19,20)21/h16-17H,3-15,18H2,1-2H3,(H,19,20,21)/p+1