8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione

Systemtic Name: 8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC(=O)N(C2=O)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC2(C1)CC(=O)N(C2=O)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H24N4O2/c23-16-13-18(6-2-3-7-18)17(24)22(16)14-20-9-11-21(12-10-20)15-5-1-4-8-19-15/h1,4-5,8H,2-3,6-7,9-14H2/p+1