3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione

Systemtic Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione Openeye Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione CAS Name: 3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-3-azaspiro[4.5]decane-2,4-dione IUPAC Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione Traditional Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-quinone Formula: C19H28N4O2+2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC2(CC1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H26N4O2/c24-17-14-19(7-3-1-4-8-19)18(25)23(17)15-21-10-12-22(13-11-21)16-6-2-5-9-20-16/h2,5-6,9H,1,3-4,7-8,10-15H2/p+2