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

Systemtic Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(oxan-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-oxanyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(oxan-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCOCC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCOCC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H28N4O2/c29-24(18-4-3-13-28(16-18)20-11-14-30-15-12-20)25-19-9-7-17(8-10-19)23-26-21-5-1-2-6-22(21)27-23/h1-2,5-10,18,20H,3-4,11-16H2,(H,25,29)(H,26,27)/p+1/t18-/m0/s1