N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-chloro-5-piperidinosulfonyl-phenyl)acetamide Formula: C25H33ClN3O3S+ MolecularWeight: 491.06582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32ClN3O3S/c26-23-10-9-22(33(31,32)29-13-5-2-6-14-29)18-24(23)27-25(30)19-28-15-11-21(12-16-28)17-20-7-3-1-4-8-20/h1,3-4,7-10,18,21H,2,5-6,11-17,19H2,(H,27,30)/p+1