ethyl (3S)-3-(2-phenoxyethyl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(2-phenoxyethyl)-1-(1-propyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2-phenoxyethyl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H40N2O3+2 MolecularWeight: 404.586

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH+]2CCCC(C2)(CCOC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH+]2CCC[C@@](C2)(CCOC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H38N2O3/c1-3-15-25-17-11-21(12-18-25)26-16-8-13-24(20-26,23(27)28-4-2)14-19-29-22-9-6-5-7-10-22/h5-7,9-10,21H,3-4,8,11-20H2,1-2H3/p+2/t24-/m0/s1