N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(pyrimidin-2-ylamino)propanamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(pyrimidin-2-ylamino)propanamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(pyrimidin-2-ylamino)propanamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(2-pyrimidinylamino)propanamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(pyrimidin-2-ylamino)propanamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(2-pyrimidylamino)propionamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)CCNC2=NC=CC=N2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)CCNC2=NC=CC=N2)[NH+]3CCCC3

InChI

InChI=1S/C20H27N5O2/c1-27-18-8-3-2-7-16(18)17(25-13-4-5-14-25)15-24-19(26)9-12-23-20-21-10-6-11-22-20/h2-3,6-8,10-11,17H,4-5,9,12-15H2,1H3,(H,24,26)(H,21,22,23)/p+1/t17-/m0/s1