(5R)-1-[(4-methoxyphenyl)methyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5R)-1-[(4-methoxyphenyl)methyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5R)-1-[(4-methoxyphenyl)methyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5R)-1-[(4-methoxyphenyl)methyl]-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5R)-1-[(4-methoxyphenyl)methyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5R)-1-p-anisyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)barbituric acid Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=O)C=NCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)[C@@H](C(=O)NC2=O)C=NCC[NH+]3CCCCC3

InChI

InChI=1S/C20H26N4O4/c1-28-16-7-5-15(6-8-16)14-24-19(26)17(18(25)22-20(24)27)13-21-9-12-23-10-3-2-4-11-23/h5-8,13,17H,2-4,9-12,14H2,1H3,(H,22,25,27)/p+1/t17-/m1/s1