1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Systemtic Name: 1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone Openeye Name: 1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-2-tetralin-6-yl-ethanone CAS Name: 1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone IUPAC Name: 1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone Traditional Name: 1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-2-tetralin-6-yl-ethanone Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H27N3O/c26-22(16-19-5-6-20-3-1-2-4-21(20)15-19)25-13-11-24(12-14-25)17-18-7-9-23-10-8-18/h5-10,15H,1-4,11-14,16-17H2/p+1