(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-1-one Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5O/c1-16(19(26)25-10-7-17-5-2-3-6-18(17)15-25)23-11-13-24(14-12-23)20-21-8-4-9-22-20/h2-6,8-9,16H,7,10-15H2,1H3/p+1/t16-/m1/s1