2-[[(3S)-1-(2,4-dichlorophenyl)carbonylpiperidin-3-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(3S)-1-(2,4-dichlorophenyl)carbonylpiperidin-3-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[(3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[(3S)-1-[(2,4-dichlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(3S)-1-(2,4-dichlorobenzoyl)nipecotoyl]amino]ethyl-diethyl-ammonium Formula: C19H28Cl2N3O2+ MolecularWeight: 401.35052

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1CCCN(C1)C(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC[NH+](CC)CCNC(=O)[C@H]1CCCN(C1)C(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H27Cl2N3O2/c1-3-23(4-2)11-9-22-18(25)14-6-5-10-24(13-14)19(26)16-8-7-15(20)12-17(16)21/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,22,25)/p+1/t14-/m0/s1