Molecule ID: 56927819

IUPAC Name: (7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-[(E)-3-iodoprop-2-enyl]-propylazanium

Description: The molecule is an organic cation that is the conjugate acid of 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol, arising from protonation of the tertiary amino function. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol.

SMILES: CCC[NH+](C/C=C/I)C1CCc2ccc(O)cc2C1

SELFIES: [C][C][C][NH1+1][Branch1][Branch1][C][/C][=C][/I][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][O]

InChI: InChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3/p+1/b8-3+

Molecular Properties:
- Polar Surface Area: 24.7 Ų
- LogP: 4.4