2-[4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C17H20ClN4O2+ MolecularWeight: 347.8193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCCO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCCO3)C4=NC=CC=N4

InChI

InChI=1S/C17H19ClN4O2/c18-14-10-13(11-15-16(14)24-9-8-23-15)12-21-4-6-22(7-5-21)17-19-2-1-3-20-17/h1-3,10-11H,4-9,12H2/p+1