N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-butyl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-butylacetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-butylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-butyl-acetamide Formula: C25H43N6O4+ MolecularWeight: 491.64672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C25H42N6O4/c1-3-5-15-30(21-22(26)31(12-4-2)25(35)27-23(21)33)20(32)18-28-16-10-19(11-17-28)24(34)29-13-8-6-7-9-14-29/h19H,3-18,26H2,1-2H3,(H,27,33,35)/p+1