2-cyclopentyl-N-[3-[4-(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)piperidin-1-yl]phenyl]ethanamide

Systemtic Name: 2-cyclopentyl-N-[3-[4-(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)piperidin-1-yl]phenyl]ethanamide Openeye Name: 2-cyclopentyl-N-[3-[4-(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)-1-piperidyl]phenyl]acetamide CAS Name: 2-cyclopentyl-N-[3-[4-[4-(4-thiomorpholin-4-iumyl)-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]acetamide IUPAC Name: 2-cyclopentyl-N-[3-[4-(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)piperidin-1-yl]phenyl]acetamide Traditional Name: 2-cyclopentyl-N-[3-[4-(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)piperidino]phenyl]acetamide Formula: C27H44N4OS+2 MolecularWeight: 472.72946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCC(CC4)[NH+]5CCSCC5

Isomeric SMILES

C1CCC(C1)CC(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCC(CC4)[NH+]5CCSCC5

InChI

InChI=1S/C27H42N4OS/c32-27(20-22-4-1-2-5-22)28-23-6-3-7-26(21-23)30-14-10-24(11-15-30)29-12-8-25(9-13-29)31-16-18-33-19-17-31/h3,6-7,21-22,24-25H,1-2,4-5,8-20H2,(H,28,32)/p+2