dimethyl-(1-phenyltridecyl)-(4-sulfobutyl)azanium

Systemtic Name: dimethyl-(1-phenyltridecyl)-(4-sulfobutyl)azanium Openeye Name: dimethyl-(1-phenyltridecyl)-(4-sulfobutyl)ammonium CAS Name: dimethyl-(1-phenyltridecyl)-(4-sulfobutyl)ammonium IUPAC Name: dimethyl-(1-phenyltridecyl)-(4-sulfobutyl)azanium Traditional Name: dimethyl-(1-phenyltridecyl)-(4-sulfobutyl)ammonium Formula: C25H46NO3S+ MolecularWeight: 440.70264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)CCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)CCCCS(=O)(=O)O

InChI

InChI=1S/C25H45NO3S/c1-4-5-6-7-8-9-10-11-12-16-21-25(24-19-14-13-15-20-24)26(2,3)22-17-18-23-30(27,28)29/h13-15,19-20,25H,4-12,16-18,21-23H2,1-3H3/p+1