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

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-cyclopentyl-benzamide Openeye Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-cyclopentyl-benzamide CAS Name: 2-[[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-cyclopentylbenzamide IUPAC Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide Traditional Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-cyclopentyl-benzamide Formula: C26H39N4O3+ MolecularWeight: 455.61286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

InChI

InChI=1S/C26H38N4O3/c31-24(28-23-12-6-5-11-22(23)25(32)27-21-9-3-4-10-21)19-29-17-13-20(14-18-29)26(33)30-15-7-1-2-8-16-30/h5-6,11-12,20-21H,1-4,7-10,13-19H2,(H,27,32)(H,28,31)/p+1