5-phenyl-2-pyridin-4-yl-4-[(3S)-1-[(3R)-thiolan-3-yl]piperidin-1-ium-3-yl]pyrimidine

Systemtic Name: 5-phenyl-2-pyridin-4-yl-4-[(3S)-1-[(3R)-thiolan-3-yl]piperidin-1-ium-3-yl]pyrimidine Openeye Name: 5-phenyl-2-(4-pyridyl)-4-[(3S)-1-[(3R)-tetrahydrothiophen-3-yl]piperidin-1-ium-3-yl]pyrimidine CAS Name: 5-phenyl-2-pyridin-4-yl-4-[(3S)-1-[(3R)-3-thiolanyl]-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 5-phenyl-2-pyridin-4-yl-4-[(3S)-1-[(3R)-thiolan-3-yl]piperidin-1-ium-3-yl]pyrimidine Traditional Name: 5-phenyl-2-(4-pyridyl)-4-[(3S)-1-[(3R)-tetrahydrothiophen-3-yl]piperidin-1-ium-3-yl]pyrimidine Formula: C24H27N4S+ MolecularWeight: 403.56298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSC2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)[C@@H]2CCSC2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C24H26N4S/c1-2-5-18(6-3-1)22-15-26-24(19-8-11-25-12-9-19)27-23(22)20-7-4-13-28(16-20)21-10-14-29-17-21/h1-3,5-6,8-9,11-12,15,20-21H,4,7,10,13-14,16-17H2/p+1/t20-,21+/m0/s1