Molecule ID: 49852291

IUPAC Name: methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate;chloride

Description: The molecule is the monohydrochloride salt of remifentanil. It has a role as a mu-opioid receptor agonist, an opioid analgesic, an intravenous anaesthetic and a sedative. It contains a remifentanil.

SMILES: CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1.Cl

SELFIES: [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][N][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C][C][Ring1][S].[Cl]

InChI: InChI=1S/C20H28N2O5.ClH/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2;/h5-9H,4,10-15H2,1-3H3;1H

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: nan