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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-ethylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-ethylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-ethyl-acetamide Formula: C24H41N6O4+ MolecularWeight: 477.62014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)N

InChI

InChI=1S/C24H40N6O4/c1-3-5-14-30-21(25)20(22(32)26-24(30)34)29(4-2)19(31)17-27-15-10-18(11-16-27)23(33)28-12-8-6-7-9-13-28/h18H,3-17,25H2,1-2H3,(H,26,32,34)/p+1