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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-cyclopentyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-cyclopentyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-cyclopentyl-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-cyclopentyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C21H36N5O3+ MolecularWeight: 406.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C[NH+]3CCCCC3C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C[NH+]3CCCC[C@@H]3C)N

InChI

InChI=1S/C21H35N5O3/c1-3-4-13-25-19(22)18(20(28)23-21(25)29)26(16-10-5-6-11-16)17(27)14-24-12-8-7-9-15(24)2/h15-16H,3-14,22H2,1-2H3,(H,23,28,29)/p+1/t15-/m0/s1