N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22Cl2N5O+ MolecularWeight: 395.30618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H21Cl2N5O/c1-13(15-4-3-14(19)11-16(15)20)23-17(26)12-24-7-9-25(10-8-24)18-21-5-2-6-22-18/h2-6,11,13H,7-10,12H2,1H3,(H,23,26)/p+1/t13-/m1/s1