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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-piperidin-1-ium-1-yl-acetamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3/c1-2-24(16(26)14-23-11-7-4-8-12-23)17-18(21)25(20(28)22-19(17)27)13-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14,21H2,1H3,(H,22,27,28)/p+1