methyl 3-[2-[4-(6-chloranyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[4-(6-chloranyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(6-chloro-1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H24ClN4O3+ MolecularWeight: 427.90396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O3/c1-30-22(29)15-3-2-4-17(11-15)24-20(28)13-27-9-7-14(8-10-27)21-25-18-6-5-16(23)12-19(18)26-21/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,28)(H,25,26)/p+1