1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H29N3O+2 MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O/c26-22(25-11-10-20-8-4-5-9-21(20)17-25)18-24-14-12-23(13-15-24)16-19-6-2-1-3-7-19/h1-9H,10-18H2/p+2