[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [2-(2-methoxyphenyl)pyrimidin-5-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [2-(2-methoxyphenyl)pyrimidin-5-yl]methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [2-(2-methoxyphenyl)-5-pyrimidinyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [2-(2-methoxyphenyl)pyrimidin-5-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [2-(2-methoxyphenyl)pyrimidin-5-yl]methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC=C(C=N2)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1C2=NC=C(C=N2)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O/c1-28-19-8-3-2-7-18(19)20-25-13-16(14-26-20)12-24-17-6-4-11-27(15-17)21-22-9-5-10-23-21/h2-3,5,7-10,13-14,17,24H,4,6,11-12,15H2,1H3/p+1/t17-/m0/s1