(2R)-N-(2,4-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2,4-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2,4-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2,4-dichlorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2,4-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2,4-dichlorophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C17H20Cl2N5O+ MolecularWeight: 381.2796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)Cl)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H19Cl2N5O/c1-12(16(25)22-15-4-3-13(18)11-14(15)19)23-7-9-24(10-8-23)17-20-5-2-6-21-17/h2-6,11-12H,7-10H2,1H3,(H,22,25)/p+1/t12-/m1/s1