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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-piperidin-1-ium-1-yl-acetamide Formula: C18H32N5O3+ MolecularWeight: 366.47838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C[NH+]2CCCCC2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C18H31N5O3/c1-3-5-12-22(14(24)13-21-10-7-6-8-11-21)15-16(19)23(9-4-2)18(26)20-17(15)25/h3-13,19H2,1-2H3,(H,20,25,26)/p+1