4-tert-butyl-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide Openeye Name: 4-tert-butyl-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide CAS Name: 4-tert-butyl-N-[1-methyl-2-(1-piperidin-1-iumylmethyl)-5-benzimidazolyl]benzamide IUPAC Name: 4-tert-butyl-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide Traditional Name: 4-tert-butyl-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)C[NH+]4CCCCC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)C[NH+]4CCCCC4)C

InChI

InChI=1S/C25H32N4O/c1-25(2,3)19-10-8-18(9-11-19)24(30)26-20-12-13-22-21(16-20)27-23(28(22)4)17-29-14-6-5-7-15-29/h8-13,16H,5-7,14-15,17H2,1-4H3,(H,26,30)/p+1