2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-(4-fluorophenyl)benzamide

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-(4-fluorophenyl)benzamide Openeye Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide CAS Name: 2-[[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-(4-fluorophenyl)benzamide IUPAC Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide Traditional Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide Formula: C27H34FN4O3+ MolecularWeight: 481.582263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H33FN4O3/c28-21-9-11-22(12-10-21)29-26(34)23-7-3-4-8-24(23)30-25(33)19-31-17-13-20(14-18-31)27(35)32-15-5-1-2-6-16-32/h3-4,7-12,20H,1-2,5-6,13-19H2,(H,29,34)(H,30,33)/p+1