(2S)-N-(4-nitrophenyl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-nitrophenyl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)propionamide Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H23N5O4/c1-14(20(27)22-15-6-8-17(9-7-15)26(29)30)24-12-10-16(11-13-24)25-19-5-3-2-4-18(19)23-21(25)28/h2-9,14,16H,10-13H2,1H3,(H,22,27)(H,23,28)/p+1/t14-/m0/s1