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

Systemtic Name: 1-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H26N5O4+ MolecularWeight: 412.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4)N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H25N5O4/c22-18-17(20(29)24-21(30)26(18)15-6-7-15)16(27)12-25-10-8-13(9-11-25)19(28)23-14-4-2-1-3-5-14/h1-5,13,15H,6-12,22H2,(H,23,28)(H,24,29,30)/p+1