(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propionamide Formula: C15H23N4O3+ MolecularWeight: 307.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)[NH+]1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C15H22N4O3/c1-11(14(21)17-15(22)16-2)18-7-9-19(10-8-18)12-5-3-4-6-13(12)20/h3-6,11,20H,7-10H2,1-2H3,(H2,16,17,21,22)/p+1/t11-/m1/s1