ethyl 4-[(3S)-1-(1-ethoxycarbonylpiperidin-4-yl)piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(1-ethoxycarbonylpiperidin-4-yl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(1-ethoxycarbonyl-4-piperidyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(1-ethoxycarbonyl-4-piperidinyl)-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(1-ethoxycarbonylpiperidin-4-yl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(1-carbethoxy-4-piperidyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H37N4O4+ MolecularWeight: 397.53218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H36N4O4/c1-3-27-19(25)22-10-7-17(8-11-22)24-9-5-6-18(16-24)21-12-14-23(15-13-21)20(26)28-4-2/h17-18H,3-16H2,1-2H3/p+1/t18-/m0/s1