2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-14-6-7-16-18(12-14)24-21(23-16)15-8-10-25(11-9-15)13-20(27)22-17-4-2-3-5-19(17)26(28)29/h2-7,12,15H,8-11,13H2,1H3,(H,22,27)(H,23,24)/p+1