6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol

Systemtic Name: 6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indan-5-ol CAS Name: 6-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]indan-5-ol Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H22N4O/c23-17-12-15-4-1-3-14(15)11-16(17)13-21-7-9-22(10-8-21)18-19-5-2-6-20-18/h2,5-6,11-12,23H,1,3-4,7-10,13H2/p+1