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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2/c24-19(21-18-8-4-3-5-9-18)16-22-14-10-17(11-15-22)20(25)23-12-6-1-2-7-13-23/h3-5,8-9,17H,1-2,6-7,10-16H2,(H,21,24)/p+1