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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(2-methoxyethyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C21H30N5O4+ MolecularWeight: 416.494

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C21H29N5O4/c1-30-13-12-25(17(27)15-24-10-6-3-7-11-24)18-19(22)26(21(29)23-20(18)28)14-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15,22H2,1H3,(H,23,28,29)/p+1