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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)-N-(2-thenyl)acetamide Formula: C26H36N3O3S+ MolecularWeight: 470.64734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H35N3O3S/c1-32-23-10-8-22(9-11-23)29(19-24-7-6-18-33-24)25(30)20-27-16-12-21(13-17-27)26(31)28-14-4-2-3-5-15-28/h6-11,18,21H,2-5,12-17,19-20H2,1H3/p+1