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

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-tetralin-6-yl-butane-1,4-dione CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-4-tetralin-6-yl-butane-1,4-dione Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c27-21(20-9-8-18-5-1-2-6-19(18)17-20)10-11-23(28)26-15-13-25(14-16-26)22-7-3-4-12-24-22/h3-4,7-9,12,17H,1-2,5-6,10-11,13-16H2/p+1