(2R)-N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(3-methoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(3-methoxyphenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-14(17(24)21-15-5-3-6-16(13-15)25-2)22-9-11-23(12-10-22)18-19-7-4-8-20-18/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)/p+1/t14-/m1/s1