2,3-bis(oxidanyl)butanedioic acid; [1-(2-diethylaminoethyl)-2,5-dimethyl-4-phenyl-piperidin-1-ium-1-yl] propanoate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; [1-(2-diethylaminoethyl)-2,5-dimethyl-4-phenyl-piperidin-1-ium-1-yl] propanoate Openeye Name: [1-(2-diethylaminoethyl)-2,5-dimethyl-4-phenyl-piperidin-1-ium-1-yl] propanoate; 2,3-dihydroxybutanedioic acid CAS Name: 2,3-dihydroxybutanedioic acid; propanoic acid [1-(2-diethylaminoethyl)-2,5-dimethyl-4-phenyl-1-piperidin-1-iumyl] ester IUPAC Name: [1-(2-diethylaminoethyl)-2,5-dimethyl-4-phenylpiperidin-1-ium-1-yl] propanoate; 2,3-dihydroxybutanedioic acid Traditional Name: propionic acid [1-(2-diethylaminoethyl)-2,5-dimethyl-4-phenyl-piperidin-1-ium-1-yl] ester; tartaric acid Formula: C30H49N2O14+ MolecularWeight: 661.71506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O[N+]1(CC(C(CC1C)C2=CC=CC=C2)C)CCN(CC)CC.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCC(=O)O[N+]1(CC(C(CC1C)C2=CC=CC=C2)C)CCN(CC)CC.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C22H37N2O2.2C4H6O6/c1-6-22(25)26-24(15-14-23(7-2)8-3)17-18(4)21(16-19(24)5)20-12-10-9-11-13-20;2*5-1(3(7)8)2(6)4(9)10/h9-13,18-19,21H,6-8,14-17H2,1-5H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+1;;