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

Systemtic Name: 5-(2-chlorophenyl)-4-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Openeye Name: 5-(2-chlorophenyl)-4-[(3S)-1-(3-furylmethyl)piperidin-1-ium-3-yl]pyrimidine CAS Name: 5-(2-chlorophenyl)-4-[(3S)-1-(3-furanylmethyl)-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 5-(2-chlorophenyl)-4-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Traditional Name: 5-(2-chlorophenyl)-4-[(3S)-1-(3-furfuryl)piperidin-1-ium-3-yl]pyrimidine Formula: C20H21ClN3O+ MolecularWeight: 354.85324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC=C2)C3=NC=NC=C3C4=CC=CC=C4Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC=C2)C3=NC=NC=C3C4=CC=CC=C4Cl

InChI

InChI=1S/C20H20ClN3O/c21-19-6-2-1-5-17(19)18-10-22-14-23-20(18)16-4-3-8-24(12-16)11-15-7-9-25-13-15/h1-2,5-7,9-10,13-14,16H,3-4,8,11-12H2/p+1/t16-/m0/s1