3-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-1,3-diazinane-2,4-dione

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-1,3-diazinane-2,4-dione Openeye Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]hexahydropyrimidine-2,4-dione CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-1,3-diazinane-2,4-dione IUPAC Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-1,3-diazinane-2,4-dione Traditional Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5,6-dihydrouracil Formula: C17H29N4O3+ MolecularWeight: 337.43716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=O)CCNC3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=O)CCNC3=O

InChI

InChI=1S/C17H28N4O3/c22-15-5-8-18-17(24)21(15)13-19-11-6-14(7-12-19)16(23)20-9-3-1-2-4-10-20/h14H,1-13H2,(H,18,24)/p+1