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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(phenylmethyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(phenylmethyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-2-piperidin-1-ium-1-yl-acetamide Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCCCC3)N

InChI

InChI=1S/C22H31N5O3/c1-2-3-14-26-20(23)19(21(29)24-22(26)30)27(15-17-10-6-4-7-11-17)18(28)16-25-12-8-5-9-13-25/h4,6-7,10-11H,2-3,5,8-9,12-16,23H2,1H3,(H,24,29,30)/p+1