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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[2-[(4-chlorophenyl)thio]phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-[(4-chlorophenyl)thio]phenyl]acetamide Formula: C26H33ClN3O2S+ MolecularWeight: 487.07712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H32ClN3O2S/c27-21-9-11-22(12-10-21)33-24-8-4-3-7-23(24)28-25(31)19-29-17-13-20(14-18-29)26(32)30-15-5-1-2-6-16-30/h3-4,7-12,20H,1-2,5-6,13-19H2,(H,28,31)/p+1