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

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-benzyl-benzamide CAS Name: 2-[[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-benzylbenzamide Traditional Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-benzyl-benzamide Formula: C28H37N4O3+ MolecularWeight: 477.61838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O3/c33-26(21-31-18-14-23(15-19-31)28(35)32-16-8-1-2-9-17-32)30-25-13-7-6-12-24(25)27(34)29-20-22-10-4-3-5-11-22/h3-7,10-13,23H,1-2,8-9,14-21H2,(H,29,34)(H,30,33)/p+1