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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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