(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: (2S)-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: (2S)-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: (2S)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C19H24N5O3+ MolecularWeight: 370.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)CC4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C19H23N5O3/c1-13(24-8-6-23(7-9-24)12-15-3-2-10-27-15)18(25)20-14-4-5-16-17(11-14)22-19(26)21-16/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,25)(H2,21,22,26)/p+1/t13-/m0/s1