2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C20H28ClN4O4+ MolecularWeight: 423.91372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H27ClN4O4/c21-17-13-16(25(28)29)5-6-18(17)22-19(26)14-23-11-7-15(8-12-23)20(27)24-9-3-1-2-4-10-24/h5-6,13,15H,1-4,7-12,14H2,(H,22,26)/p+1