2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c26-19(21-15-5-7-16(8-6-15)25(27)28)13-24-11-9-14(10-12-24)20-22-17-3-1-2-4-18(17)23-20/h1-8,14H,9-13H2,(H,21,26)(H,22,23)/p+1