N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-methylpiperidin-1-ium-1-yl)-N-pentyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-methylpiperidin-1-ium-1-yl)-N-pentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-methylpiperidin-1-ium-1-yl)-N-pentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(4-methyl-1-piperidin-1-iumyl)-N-pentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperidin-1-ium-1-yl)-N-pentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C21H38N5O3+ MolecularWeight: 408.55812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C[NH+]2CCC(CC2)C

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C[NH+]2CCC(CC2)C

InChI

InChI=1S/C21H37N5O3/c1-4-6-8-12-25(17(27)15-24-13-9-16(3)10-14-24)18-19(22)26(11-7-5-2)21(29)23-20(18)28/h16H,4-15,22H2,1-3H3,(H,23,28,29)/p+1