1H-benzimidazol-2-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C20H21N6+ MolecularWeight: 345.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=NC3=CC=CC=C3N2)C4=CC=NC=C4

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]CC2=NC3=CC=CC=C3N2)C4=CC=NC=C4

InChI

InChI=1S/C20H20N6/c1-13(22-12-19-25-17-5-3-4-6-18(17)26-19)16-11-23-20(24-14(16)2)15-7-9-21-10-8-15/h3-11,13,22H,12H2,1-2H3,(H,25,26)/p+1/t13-/m0/s1