(2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C18H23ClN5O2+ MolecularWeight: 376.86052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O2/c1-13(17(25)22-15-12-14(19)4-5-16(15)26-2)23-8-10-24(11-9-23)18-20-6-3-7-21-18/h3-7,12-13H,8-11H2,1-2H3,(H,22,25)/p+1/t13-/m1/s1