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

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(3-methylbut-2-enyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(3-methylbut-2-enyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(3-methylbut-2-enyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(3-methylbut-2-enyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(3-methylbut-2-enyl)piperidin-1-ium-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC(=CC[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C24H28N4O/c1-17(2)11-14-28-15-12-19(13-16-28)24(29)25-20-9-7-18(8-10-20)23-26-21-5-3-4-6-22(21)27-23/h3-11,19H,12-16H2,1-2H3,(H,25,29)(H,26,27)/p+1