(3R)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C[NH+]3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C[NH+]3CC4=CC=CC=C4C[C@@H]3C(=O)N

InChI

InChI=1S/C20H24N6O2/c21-19(28)17-12-15-4-1-2-5-16(15)13-26(17)14-18(27)24-8-10-25(11-9-24)20-22-6-3-7-23-20/h1-7,17H,8-14H2,(H2,21,28)/p+1/t17-/m1/s1