(3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3C(=O)NCC[NH2+]3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C(=O)NCC[NH2+]3

InChI

InChI=1S/C15H19N3O2/c19-14(9-13-15(20)17-7-6-16-13)18-8-5-11-3-1-2-4-12(11)10-18/h1-4,13,16H,5-10H2,(H,17,20)/p+1/t13-/m1/s1