3-[(4-fluorophenyl)methyl]-6-(2-methoxyethanoylamino)-N-(2-piperidin-1-ium-1-ylethyl)benzimidazole-4-carboxamide

Systemtic Name: 3-[(4-fluorophenyl)methyl]-6-(2-methoxyethanoylamino)-N-(2-piperidin-1-ium-1-ylethyl)benzimidazole-4-carboxamide Openeye Name: 3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-N-(2-piperidin-1-ium-1-ylethyl)benzimidazole-4-carboxamide CAS Name: 3-[(4-fluorophenyl)methyl]-6-[(2-methoxy-1-oxoethyl)amino]-N-[2-(1-piperidin-1-iumyl)ethyl]-4-benzimidazolecarboxamide IUPAC Name: 3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-N-(2-piperidin-1-ium-1-ylethyl)benzimidazole-4-carboxamide Traditional Name: 3-(4-fluorobenzyl)-6-[(2-methoxyacetyl)amino]-N-(2-piperidin-1-ium-1-ylethyl)benzimidazole-4-carboxamide Formula: C25H31FN5O3+ MolecularWeight: 468.543743

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC2=C(C(=C1)C(=O)NCC[NH+]3CCCCC3)N(C=N2)CC4=CC=C(C=C4)F

Isomeric SMILES

COCC(=O)NC1=CC2=C(C(=C1)C(=O)NCC[NH+]3CCCCC3)N(C=N2)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN5O3/c1-34-16-23(32)29-20-13-21(25(33)27-9-12-30-10-3-2-4-11-30)24-22(14-20)28-17-31(24)15-18-5-7-19(26)8-6-18/h5-8,13-14,17H,2-4,9-12,15-16H2,1H3,(H,27,33)(H,29,32)/p+1