Molecule ID: 5849

IUPAC Name: 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate

Description: The molecule is the bitartrate salt of pentolinium. It has a role as an antihypertensive agent. It contains a pentolinium ion.

SMILES: C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-]

SELFIES: [C][N+1][Branch1][S][C][C][C][C][C][N+1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][Ring1][S].[O][=C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O].[O][=C][Branch1][C][O-1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1

Molecular Properties:
- Polar Surface Area: 236.0 Ų
- LogP: nan