(2S)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N5O3S/c1-12(17(25)20-13-4-5-14-15(11-13)22-19(27)21-14)23-6-8-24(9-7-23)18(26)16-3-2-10-28-16/h2-5,10-12H,6-9H2,1H3,(H,20,25)(H2,21,22,27)/p+1/t12-/m0/s1