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

Systemtic Name: 8-tert-butyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-yl)methyl]-2,4-diazaspiro[4.5]decane-1,3-dione Openeye Name: 8-tert-butyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-yl)methyl]-2,4-diazaspiro[4.5]decane-1,3-dione CAS Name: 8-tert-butyl-2-[[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione IUPAC Name: 8-tert-butyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-yl)methyl]-2,4-diazaspiro[4.5]decane-1,3-dione Traditional Name: 8-tert-butyl-2-[(4-pyridin-1-ium-4-ylpiperazino)methyl]-2,4-diazaspiro[4.5]decane-1,3-quinone Formula: C22H34N5O2+ MolecularWeight: 400.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O2/c1-21(2,3)17-4-8-22(9-5-17)19(28)27(20(29)24-22)16-25-12-14-26(15-13-25)18-6-10-23-11-7-18/h6-7,10-11,17H,4-5,8-9,12-16H2,1-3H3,(H,24,29)/p+1