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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-ethyl-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-piperidin-1-ium-1-yl-acetamide Formula: C17H30N5O3+ MolecularWeight: 352.4518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+]2CCCCC2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+]2CCCCC2)N

InChI

InChI=1S/C17H29N5O3/c1-3-5-11-22-15(18)14(16(24)19-17(22)25)21(4-2)13(23)12-20-9-7-6-8-10-20/h3-12,18H2,1-2H3,(H,19,24,25)/p+1