2-hexadecylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine bromide

Systemtic Name: 2-hexadecylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine bromide Openeye Name: 2-hexadecylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine bromide CAS Name: 2-(hexadecylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine bromide IUPAC Name: 2-hexadecylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine bromide Traditional Name: 2-(cetylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine bromide Formula: C21H42BrN2S- MolecularWeight: 434.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NCCCCN1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NCCCCN1.[Br-]

InChI

InChI=1S/C21H42N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-21-22-18-15-16-19-23-21;/h2-20H2,1H3,(H,22,23);1H/p-1