4-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[(3S)-1-(3-furylmethyl)piperidin-1-ium-3-yl]-5-(o-tolyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[(3S)-1-(3-furanylmethyl)-3-piperidin-1-iumyl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 4-[(3S)-1-(3-furfuryl)piperidin-1-ium-3-yl]-5-(o-tolyl)-2-(4-pyridyl)pyrimidine Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCC[NH+](C3)CC4=COC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2[C@H]3CCC[NH+](C3)CC4=COC=C4)C5=CC=NC=C5

InChI

InChI=1S/C26H26N4O/c1-19-5-2-3-7-23(19)24-15-28-26(21-8-11-27-12-9-21)29-25(24)22-6-4-13-30(17-22)16-20-10-14-31-18-20/h2-3,5,7-12,14-15,18,22H,4,6,13,16-17H2,1H3/p+1/t22-/m0/s1