phenylazanium; 4-phenylazanylhexane-1-sulfonate

Systemtic Name: phenylazanium; 4-phenylazanylhexane-1-sulfonate Openeye Name: 4-anilinohexane-1-sulfonate; phenylammonium CAS Name: 4-anilino-1-hexanesulfonate; phenylammonium IUPAC Name: 4-anilinohexane-1-sulfonate; phenylazanium Traditional Name: 4-anilinohexane-1-sulfonate; phenylammonium Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCS(=O)(=O)[O-])NC1=CC=CC=C1.C1=CC=C(C=C1)[NH3+]

Isomeric SMILES

CCC(CCCS(=O)(=O)[O-])NC1=CC=CC=C1.C1=CC=C(C=C1)[NH3+]

InChI

InChI=1S/C12H19NO3S.C6H7N/c1-2-11(9-6-10-17(14,15)16)13-12-7-4-3-5-8-12;7-6-4-2-1-3-5-6/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,14,15,16);1-5H,7H2