[(E)-3-methyl-4-(phenylmethyl)tridec-2-en-2-yl]azanium chloride

Systemtic Name: [(E)-3-methyl-4-(phenylmethyl)tridec-2-en-2-yl]azanium chloride Openeye Name: [(E)-3-benzyl-1,2-dimethyl-dodec-1-enyl]ammonium chloride CAS Name: [(E)-3-methyl-4-(phenylmethyl)tridec-2-en-2-yl]ammonium chloride IUPAC Name: [(E)-4-benzyl-3-methyltridec-2-en-2-yl]azanium chloride Traditional Name: [(E)-3-benzyl-1,2-dimethyl-dodec-1-enyl]ammonium chloride Formula: C21H36ClN MolecularWeight: 337.97024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC1=CC=CC=C1)C(=C(C)[NH3+])C.[Cl-]

Isomeric SMILES

CCCCCCCCCC(CC1=CC=CC=C1)/C(=C(\C)/[NH3+])/C.[Cl-]

InChI

InChI=1S/C21H35N.ClH/c1-4-5-6-7-8-9-13-16-21(18(2)19(3)22)17-20-14-11-10-12-15-20;/h10-12,14-15,21H,4-9,13,16-17,22H2,1-3H3;1H/b19-18+;