1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-tetralin-6-yl-ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-tetralin-6-yl-ethanone Formula: C21H26N3O+ MolecularWeight: 336.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H25N3O/c25-21(16-17-8-9-18-5-1-2-6-19(18)15-17)24-13-11-23(12-14-24)20-7-3-4-10-22-20/h3-4,7-10,15H,1-2,5-6,11-14,16H2/p+1