N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H26N4O3S/c1-2-3-17-12-18(25)23-20(22-17)28-14-19(26)21-16-6-4-15(5-7-16)13-24-8-10-27-11-9-24/h4-7,12H,2-3,8-11,13-14H2,1H3,(H,21,26)(H,22,23,25)/p+1