2-[(3R,4S)-4-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylcarbamoyl)piperidin-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(3R,4S)-4-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylcarbamoyl)piperidin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[(3R,4S)-4-(2-ethoxy-2-oxo-ethyl)-1-(phenylcarbamoyl)-3-piperidyl]ethyl-diethyl-ammonium CAS Name: 2-[(3R,4S)-1-[anilino(oxo)methyl]-4-(2-ethoxy-2-oxoethyl)-3-piperidinyl]ethyl-diethylammonium IUPAC Name: 2-[(3R,4S)-4-(2-ethoxy-2-oxoethyl)-1-(phenylcarbamoyl)piperidin-3-yl]ethyl-diethylazanium Traditional Name: 2-[(3R,4S)-4-(2-ethoxy-2-keto-ethyl)-1-(phenylcarbamoyl)-3-piperidyl]ethyl-diethyl-ammonium Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC1CN(CCC1CC(=O)OCC)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CC[C@H]1CN(CC[C@H]1CC(=O)OCC)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H35N3O3/c1-4-24(5-2)14-12-19-17-25(15-13-18(19)16-21(26)28-6-3)22(27)23-20-10-8-7-9-11-20/h7-11,18-19H,4-6,12-17H2,1-3H3,(H,23,27)/p+1/t18-,19-/m0/s1