7-acetamido-N-[[(3R)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide

Systemtic Name: 7-acetamido-N-[[(3R)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide Openeye Name: 7-acetamido-N-[[(3R)-1-isopropylpiperidin-1-ium-3-yl]methyl]-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carboxamide CAS Name: 7-acetamido-N-[[(3R)-1-propan-2-yl-3-piperidin-1-iumyl]methyl]-1-[2-(2-pyridinyl)ethyl]-5-benzimidazolecarboxamide IUPAC Name: 7-acetamido-N-[[(3R)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide Traditional Name: 7-acetamido-N-[[(3R)-1-isopropylpiperidin-1-ium-3-yl]methyl]-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carboxamide Formula: C26H35N6O2+ MolecularWeight: 463.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCC(C1)CNC(=O)C2=CC3=C(C(=C2)NC(=O)C)N(C=N3)CCC4=CC=CC=N4

Isomeric SMILES

CC(C)[NH+]1CCC[C@@H](C1)CNC(=O)C2=CC3=C(C(=C2)NC(=O)C)N(C=N3)CCC4=CC=CC=N4

InChI

InChI=1S/C26H34N6O2/c1-18(2)31-11-6-7-20(16-31)15-28-26(34)21-13-23-25(24(14-21)30-19(3)33)32(17-29-23)12-9-22-8-4-5-10-27-22/h4-5,8,10,13-14,17-18,20H,6-7,9,11-12,15-16H2,1-3H3,(H,28,34)(H,30,33)/p+1/t20-/m1/s1