2-[(3R,4S)-1-(cyclohexylcarbamoyl)-3-(2-morpholin-4-ium-4-ylethyl)piperidin-4-yl]ethanoate

Systemtic Name: 2-[(3R,4S)-1-(cyclohexylcarbamoyl)-3-(2-morpholin-4-ium-4-ylethyl)piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-1-(cyclohexylcarbamoyl)-3-(2-morpholin-4-ium-4-ylethyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-1-[(cyclohexylamino)-oxomethyl]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-1-(cyclohexylcarbamoyl)-3-(2-morpholin-4-ium-4-ylethyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-1-(cyclohexylcarbamoyl)-3-(2-morpholin-4-ium-4-ylethyl)-4-piperidyl]acetate Formula: C20H35N3O4 MolecularWeight: 381.5096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCC(C(C2)CC[NH+]3CCOCC3)CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CC[C@H]([C@H](C2)CC[NH+]3CCOCC3)CC(=O)[O-]

InChI

InChI=1S/C20H35N3O4/c24-19(25)14-16-7-9-23(20(26)21-18-4-2-1-3-5-18)15-17(16)6-8-22-10-12-27-13-11-22/h16-18H,1-15H2,(H,21,26)(H,24,25)/t16-,17-/m0/s1