[3-[(E)-2-acetamido-1-bromanyl-ethenyl]sulfanyl-6-(phenylmethyl)hexadecyl]-dimethyl-azanium

Systemtic Name: [3-[(E)-2-acetamido-1-bromanyl-ethenyl]sulfanyl-6-(phenylmethyl)hexadecyl]-dimethyl-azanium Openeye Name: [3-[(E)-2-acetamido-1-bromo-vinyl]sulfanyl-6-benzyl-hexadecyl]-dimethyl-ammonium CAS Name: [3-[[(E)-2-acetamido-1-bromoethenyl]thio]-6-(phenylmethyl)hexadecyl]-dimethylammonium IUPAC Name: [3-[(E)-2-acetamido-1-bromoethenyl]sulfanyl-6-benzylhexadecyl]-dimethylazanium Traditional Name: [3-[[(E)-2-acetamido-1-bromo-vinyl]thio]-6-benzyl-hexadecyl]-dimethyl-ammonium Formula: C29H50BrN2OS+ MolecularWeight: 554.6891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCC(CC[NH+](C)C)SC(=CNC(=O)C)Br)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(CCC(CC[NH+](C)C)S/C(=C\NC(=O)C)/Br)CC1=CC=CC=C1

InChI

InChI=1S/C29H49BrN2OS/c1-5-6-7-8-9-10-11-13-18-27(23-26-16-14-12-15-17-26)19-20-28(21-22-32(3)4)34-29(30)24-31-25(2)33/h12,14-17,24,27-28H,5-11,13,18-23H2,1-4H3,(H,31,33)/p+1/b29-24-