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

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[(3S)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone CAS Name: 2-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone Formula: C24H31N6O2+ MolecularWeight: 435.54194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3C[NH+]2CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CC3=CC=CC=C3C[NH+]2CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H30N6O2/c31-22(27-12-14-29(15-13-27)24-25-8-5-9-26-24)18-30-17-20-7-2-1-6-19(20)16-21(30)23(32)28-10-3-4-11-28/h1-2,5-9,21H,3-4,10-18H2/p+1/t21-/m0/s1