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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O3/c1-16(2)13-26(18(28)15-25-11-7-4-8-12-25)19-20(23)27(22(30)24-21(19)29)14-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15,23H2,1-2H3,(H,24,29,30)/p+1