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

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide Formula: C27H35N4O3+ MolecularWeight: 463.5918

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3/c32-25(20-30-18-14-21(15-19-30)27(34)31-16-8-1-2-9-17-31)29-24-13-7-6-12-23(24)26(33)28-22-10-4-3-5-11-22/h3-7,10-13,21H,1-2,8-9,14-20H2,(H,28,33)(H,29,32)/p+1