1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H23N3O2/c1-14(21)19-10-8-18(9-11-19)13-17(22)20-7-6-15-4-2-3-5-16(15)12-20/h2-5H,6-13H2,1H3/p+1