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

Systemtic Name: ethyl 4-[2-[4-(6-chloranyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(6-chloro-1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C23H26ClN4O3+ MolecularWeight: 441.93054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O3/c1-2-31-23(30)16-3-6-18(7-4-16)25-21(29)14-28-11-9-15(10-12-28)22-26-19-8-5-17(24)13-20(19)27-22/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,29)(H,26,27)/p+1