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

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)CC5=CN=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)CC5=CN=CC=C5

InChI

InChI=1S/C25H25N5O/c31-25(20-11-14-30(15-12-20)17-18-4-3-13-26-16-18)27-21-9-7-19(8-10-21)24-28-22-5-1-2-6-23(22)29-24/h1-10,13,16,20H,11-12,14-15,17H2,(H,27,31)(H,28,29)/p+1