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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-(azocan-1-ium-1-yl)-N-butyl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-butyl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-(1-azocan-1-iumyl)-N-butylacetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-butylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-butyl-acetamide Formula: C20H36N5O3+ MolecularWeight: 394.53154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C20H35N5O3/c1-3-5-14-24(16(26)15-23-12-9-7-6-8-10-13-23)17-18(21)25(11-4-2)20(28)22-19(17)27/h3-15,21H2,1-2H3,(H,22,27,28)/p+1