2-[(1S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(1S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(1S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC=CC=C2C1CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[NH+]1CCC2=CC=CC=C2[C@@H]1CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5O/c1-23-10-7-16-5-2-3-6-17(16)18(23)15-19(26)24-11-13-25(14-12-24)20-21-8-4-9-22-20/h2-6,8-9,18H,7,10-15H2,1H3/p+1/t18-/m0/s1