[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium Openeye Name: [(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-[[1-(3-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium Traditional Name: [(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-[[1-(3-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C22H23N6+ MolecularWeight: 371.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=CC=CN2C3=CN=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]CC2=CC=CN2C3=CN=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H22N6/c1-16(21-15-26-22(27-17(21)2)18-7-10-23-11-8-18)25-14-20-6-4-12-28(20)19-5-3-9-24-13-19/h3-13,15-16,25H,14H2,1-2H3/p+1/t16-/m0/s1