1,2-dihydroacenaphthylen-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: 1,2-dihydroacenaphthylen-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: 1,2-dihydroacenaphthylen-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: 1,2-dihydroacenaphthylen-5-yl-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 1,2-dihydroacenaphthylen-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: acenaphthen-5-yl-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H22N3O+ MolecularWeight: 344.42958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H21N3O/c26-22(25-14-12-24(13-15-25)20-6-1-2-11-23-20)19-10-9-17-8-7-16-4-3-5-18(19)21(16)17/h1-6,9-11H,7-8,12-15H2/p+1