Molecule ID: 53262296

IUPAC Name: 2-[(4-azaniumyl-5-chloro-2-methoxybenzoyl)amino]ethyl-diethylazanium

Description: The molecule is an ammonium ion that is obtained by protonation of both the tertiary amino group and the anilino nitrogen of metoclopramide. It is a conjugate acid of a metoclopramide(1+).

SMILES: CCN(CC)CC[NH+]=C(O)c1cc(Cl)c([NH3+])cc1OC

SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][NH1+1][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][NH3+1][C][=C][Ring1][Branch2][O][C]

InChI: InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+2

Molecular Properties:
- Polar Surface Area: 70.4 Ų
- LogP: 2.6