(3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(3-isoxazolylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NOC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NOC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H23N5O2/c29-23(17-4-3-12-28(14-17)15-19-11-13-30-27-19)24-18-9-7-16(8-10-18)22-25-20-5-1-2-6-21(20)26-22/h1-2,5-11,13,17H,3-4,12,14-15H2,(H,24,29)(H,25,26)/p+1/t17-/m0/s1