2-[4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[(3R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)pyrrolidin-1-ium-3-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[(3R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-pyrrolidin-1-iumyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[(3R)-1-(coumaran-5-ylmethyl)pyrrolidin-1-ium-3-yl]piperidino]pyrimidine Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C3=NC=CC=N3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C3=NC=CC=N3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C22H28N4O/c1-8-23-22(24-9-1)26-11-5-18(6-12-26)20-4-10-25(16-20)15-17-2-3-21-19(14-17)7-13-27-21/h1-3,8-9,14,18,20H,4-7,10-13,15-16H2/p+1/t20-/m0/s1