4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-5-phenyl-2-(4-pyridyl)pyrimidine CAS Name: 4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-5-phenyl-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine Traditional Name: 4-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-5-phenyl-2-(4-pyridyl)pyrimidine Formula: C29H29N4+ MolecularWeight: 433.56736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)C4=NC(=NC=C4C5=CC=CC=C5)C6=CC=NC=C6

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)C4=NC(=NC=C4C5=CC=CC=C5)C6=CC=NC=C6

InChI

InChI=1S/C29H28N4/c1-2-7-21(8-3-1)27-19-31-29(22-12-14-30-15-13-22)32-28(27)25-11-6-16-33(20-25)26-17-23-9-4-5-10-24(23)18-26/h1-5,7-10,12-15,19,25-26H,6,11,16-18,20H2/p+1/t25-/m0/s1