1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Formula: C16H25N3O+2 MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H23N3O/c1-17-8-10-18(11-9-17)13-16(20)19-7-6-14-4-2-3-5-15(14)12-19/h2-5H,6-13H2,1H3/p+2