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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(azocan-1-ium-1-yl)-N-ethyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1-azocan-1-iumyl)-N-ethylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethyl-acetamide Formula: C19H34N5O3+ MolecularWeight: 380.50496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+]2CCCCCCC2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+]2CCCCCCC2)N

InChI

InChI=1S/C19H33N5O3/c1-3-5-13-24-17(20)16(18(26)21-19(24)27)23(4-2)15(25)14-22-11-9-7-6-8-10-12-22/h3-14,20H2,1-2H3,(H,21,26,27)/p+1