2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[(2R)-chroman-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[(2R)-chroman-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2OC1C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2=CC=CC=C2O[C@H]1C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H22N4O/c1-2-5-17-15(4-1)6-7-16(23-17)14-21-10-12-22(13-11-21)18-19-8-3-9-20-18/h1-5,8-9,16H,6-7,10-14H2/p+1/t16-/m1/s1