[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [(3S)-1-pyrimidin-2-yl-3-piperidyl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: [(3S)-1-(2-pyrimidinyl)-3-piperidinyl]-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [(3S)-1-(2-pyrimidyl)-3-piperidyl]-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C18H22N7+ MolecularWeight: 336.41418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C18H21N7/c1-5-15(14-24(11-1)17-19-7-3-8-20-17)23-13-16-6-2-12-25(16)18-21-9-4-10-22-18/h2-4,6-10,12,15,23H,1,5,11,13-14H2/p+1/t15-/m0/s1