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

Systemtic Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[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)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H19N3O2/c19-14-10-17(8-6-16-14)11-15(20)18-7-5-12-3-1-2-4-13(12)9-18/h1-4H,5-11H2,(H,16,19)/p+1