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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3/c30-25(27-22-10-12-24(13-11-22)32-23-8-4-3-5-9-23)20-28-18-14-21(15-19-28)26(31)29-16-6-1-2-7-17-29/h3-5,8-13,21H,1-2,6-7,14-20H2,(H,27,30)/p+1