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

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2,4-diazaspiro[4.5]decane-1,3-dione Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2,4-diazaspiro[4.5]decane-1,3-dione CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2,4-diazaspiro[4.5]decane-1,3-dione Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-2,4-diazaspiro[4.5]decane-1,3-quinone Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H25N5O2/c24-16-18(7-3-1-4-8-18)20-17(25)23(16)14-21-10-12-22(13-11-21)15-6-2-5-9-19-15/h2,5-6,9H,1,3-4,7-8,10-14H2,(H,20,25)/p+1