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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(morpholinomethyl)phenyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[4-(4-morpholinylmethyl)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(morpholinomethyl)phenyl]acetamide Formula: C25H39N4O3+ MolecularWeight: 443.60216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)CN4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)CN4CCOCC4

InChI

InChI=1S/C25H38N4O3/c30-24(26-23-7-5-21(6-8-23)19-28-15-17-32-18-16-28)20-27-13-9-22(10-14-27)25(31)29-11-3-1-2-4-12-29/h5-8,22H,1-4,9-20H2,(H,26,30)/p+1