Molecule ID: 448962

IUPAC Name: N-(2-hydroxyethyl)-4-[(1-methylpiperidin-1-ium-1-yl)methyl]benzamide

Description: The molecule is benzamide substituted on nitrogen by a 2-hydroxyethyl group and at the 4-position by an (N-methylpiperidinio)methyl group. It has a role as a hapten. It is a monocarboxylic acid amide, a piperidinium ion and a member of benzamides.

SMILES: C[N+]1(Cc2ccc(C(O)=NCCO)cc2)CCCCC1

SELFIES: [C][N+1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][O][=N][C][C][O][C][=C][Ring1][N][C][C][C][C][C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C16H24N2O2/c1-18(10-3-2-4-11-18)13-14-5-7-15(8-6-14)16(20)17-9-12-19/h5-8,19H,2-4,9-13H2,1H3/p+1

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: 1.2